E021-0286 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0286 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0286 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-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 E021-0286
7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-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

E021-0286

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

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

IUPAC name

10-[(2H-13-benzodioxol-5-yl)methyl]-N-(23-dimethylcyclohexyl)-11-methyl-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(C)(Cn1c2cc3c1ccs3)N(Cc(cc1)cc3c1OCO3)C2=O)=O

InChI

InChI=1S/C27H31N3O4S/c1-16-5-4-6-19(17(16)2)28-26(32)27(3)14-29-20-9-10-35-24(20)12-21(29)25(31)30(27)13-18-7-8-22-23(11-18)34-15-33-22/h7-12,16-17,19H,4-6,13-15H2,1-3H3,(H,28,32)

InChI Key

BLGYURADLBKTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.68

Polar Surface Area

59.261

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.10

E021-0286 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E021-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0286?
Check Price and Availability of E021-0286, 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 E021-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0286
  • 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 E021-0286 available by request