E649-1893 Screening compound: ethyl 3-(acetylamino)-1-benzyl-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

E649-1893 Screening compound: ethyl 3-(acetylamino)-1-benzyl-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
E649-1893 Screening compound: ethyl 3-(acetylamino)-1-benzyl-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1893
ethyl 3-(acetylamino)-1-benzyl-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

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

E649-1893

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

ethyl 3-(acetylamino)-1-benzyl-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

IUPAC name

ethyl 5-benzyl-3-acetamido-7-thia-5-azatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)3-triene-4-carboxylate

SMILES

CCOC(c(n(Cc1ccccc1)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-3-27-22(26)20-19(23-14(2)25)18-16-11-7-8-12-17(16)28-21(18)24(20)13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3,(H,23,25)

InChI Key

UIFVXFGDLVXOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-4.14

Polar Surface Area

43.862

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E649-1893 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E649-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1893?
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What is the minimum amount of E649-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1893
  • 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 E649-1893 available by request