E649-1916 Screening compound: ethyl 3-(acetylamino)-1-[2-oxo-2-(3-toluidino)ethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

E649-1916 Screening compound: ethyl 3-(acetylamino)-1-[2-oxo-2-(3-toluidino)ethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
E649-1916 Screening compound: ethyl 3-(acetylamino)-1-[2-oxo-2-(3-toluidino)ethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1916
ethyl 3-(acetylamino)-1-[2-oxo-2-(3-toluidino)ethyl]-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

E649-1916

Molecular Formula

C24H27N3O4S (C24 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(n(CC(Nc1cc(C)ccc1)=O)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C24H27N3O4S/c1-4-31-24(30)22-21(25-15(3)28)20-17-10-5-6-11-18(17)32-23(20)27(22)13-19(29)26-16-9-7-8-14(2)12-16/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,25,28)(H,26,29)

InChI Key

CCLYYOQSLCEGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-4.11

Polar Surface Area

67.012

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E649-1916 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E649-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1916?
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What is the minimum amount of E649-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1916
  • 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 E649-1916 available by request