E021-0916 Screening compound: N~6~-cycloheptyl-2-ethyl-6-methyl-8-oxo-7-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0916 Screening compound: N~6~-cycloheptyl-2-ethyl-6-methyl-8-oxo-7-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0916 Screening compound: N~6~-cycloheptyl-2-ethyl-6-methyl-8-oxo-7-[3-(propylsulfanyl)propyl]-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 E021-0916
N~6~-cycloheptyl-2-ethyl-6-methyl-8-oxo-7-[3-(propylsulfanyl)propyl]-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

E021-0916

Molecular Formula

C26H39N3O2S2 (C26 H39 N3 O2 S2)

Compound Name

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

IUPAC name

N-cycloheptyl-4-ethyl-11-methyl-9-oxo-10-[3-(propylsulfanyl)propyl]-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCCSCCCN(C(C)(Cn1c2cc3c1cc(CC)s3)C(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C26H39N3O2S2/c1-4-14-32-15-10-13-29-24(30)22-17-23-21(16-20(5-2)33-23)28(22)18-26(29,3)25(31)27-19-11-8-6-7-9-12-19/h16-17,19H,4-15,18H2,1-3H3,(H,27,31)/t26-/m0/s1

InChI Key

ZMXNBXBBHSIWDR-SANMLTNESA-N

MDL Number (MFCD)

MFCD14840398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.390

Distribution Coefficient, logD

6.390

Water Solubility, LogSw

-5.51

Polar Surface Area

42.336

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

E021-0916 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E021-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0916?
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What is the minimum amount of E021-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0916
  • 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 E021-0916 available by request