E021-0929 Screening compound: N~6~-cycloheptyl-7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0929 Screening compound: N~6~-cycloheptyl-7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0929 Screening compound: N~6~-cycloheptyl-7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E021-0929
N~6~-cycloheptyl-7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E021-0929

Molecular Formula

C26H40N4O2S (C26 H40 N4 O2 S)

Compound Name

N~6~-cycloheptyl-7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cycloheptyl-10-[2-(diethylamino)ethyl]-4-ethyl-11-methyl-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCc1cc(n(CC(C)(C(NC2CCCCCC2)=O)N(CCN(CC)CC)C2=O)c2c2)c2s1

InChI

InChI=1S/C26H40N4O2S/c1-5-20-16-21-23(33-20)17-22-24(31)30(15-14-28(6-2)7-3)26(4,18-29(21)22)25(32)27-19-12-10-8-9-11-13-19/h16-17,19H,5-15,18H2,1-4H3,(H,27,32)/t26-/m0/s1

InChI Key

NJOKKZLYXOFOEK-SANMLTNESA-N

MDL Number (MFCD)

MFCD14840404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-5.11

Polar Surface Area

45.748

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

E021-0929 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E021-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0929?
Check Price and Availability of E021-0929, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E021-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0929
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E021-0929 available by request