E649-1889 Screening compound: ethyl 3-(acetylamino)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

E649-1889 Screening compound: ethyl 3-(acetylamino)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
E649-1889 Screening compound: ethyl 3-(acetylamino)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1889
ethyl 3-(acetylamino)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-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

E649-1889

Molecular Formula

C24H26FN3O4S (C24 H26 FN3 O4 S)

Compound Name

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

IUPAC name

ethyl 3-acetamido-5-{[(3-fluoro-4-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(F)c(C)cc1)=O)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C24H26FN3O4S/c1-4-32-24(31)22-21(26-14(3)29)20-16-7-5-6-8-18(16)33-23(20)28(22)12-19(30)27-15-10-9-13(2)17(25)11-15/h9-11H,4-8,12H2,1-3H3,(H,26,29)(H,27,30)

InChI Key

WYTVSAMUUUMRCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

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

4.063

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-4.30

Polar Surface Area

67.012

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E649-1889 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E649-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1889?
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What is the minimum amount of E649-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1889
  • 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 E649-1889 available by request