E649-1669 Screening compound: ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

E649-1669 Screening compound: ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
E649-1669 Screening compound: ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E649-1669
ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-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

E649-1669

Molecular Formula

C20H20BrFN2O3S (C20 H20 BrFN2 O3 S)

Compound Name

ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

ethyl 6-[(4-bromo-2-fluorophenyl)methyl]-4-acetamido-23-dimethyl-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CCOC(c(n(Cc(ccc(Br)c1)c1F)c1c2c(C)c(C)s1)c2NC(C)=O)=O

InChI

InChI=1S/C20H20BrFN2O3S/c1-5-27-20(26)18-17(23-12(4)25)16-10(2)11(3)28-19(16)24(18)9-13-6-7-14(21)8-15(13)22/h6-8H,5,9H2,1-4H3,(H,23,25)

InChI Key

BXULMTBAPHBLRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.36

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

4.451

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.50

Polar Surface Area

43.942

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E649-1669 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E649-1669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E649-1669?
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What is the minimum amount of E649-1669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E649-1669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E649-1669
  • 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 E649-1669 available by request