E021-0550 Screening compound: 7-(2-bromobenzyl)-N~6~-cyclopentyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0550 Screening compound: 7-(2-bromobenzyl)-N~6~-cyclopentyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0550 Screening compound: 7-(2-bromobenzyl)-N~6~-cyclopentyl-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 E021-0550
7-(2-bromobenzyl)-N~6~-cyclopentyl-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

E021-0550

Molecular Formula

C23H24BrN3O2S (C23 H24 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c2cc3c1ccs3)(C(NC1CCCC1)=O)N(Cc(cccc1)c1Br)C2=O

InChI

InChI=1S/C23H24BrN3O2S/c1-23(22(29)25-16-7-3-4-8-16)14-26-18-10-11-30-20(18)12-19(26)21(28)27(23)13-15-6-2-5-9-17(15)24/h2,5-6,9-12,16H,3-4,7-8,13-14H2,1H3,(H,25,29)/t23-/m0/s1

InChI Key

DSUVJOKYQSGNJA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27597540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-4.94

Polar Surface Area

42.121

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E021-0550 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0550?
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What is the minimum amount of E021-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0550
  • 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 E021-0550 available by request