C777-0903 Screening compound: methyl 2-ethyl-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0903 Screening compound: methyl 2-ethyl-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0903 Screening compound: methyl 2-ethyl-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0903
methyl 2-ethyl-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-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

C777-0903

Molecular Formula

C19H19FN2O3S (C19 H19 FN2 O3 S)

Compound Name

methyl 2-ethyl-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 2-ethyl-4-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

CCc1cc(n(CC(Nc2cc(F)c(C)cc2)=O)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C19H19FN2O3S/c1-4-13-8-15-17(26-13)9-16(19(24)25-3)22(15)10-18(23)21-12-6-5-11(2)14(20)7-12/h5-9H,4,10H2,1-3H3,(H,21,23)

InChI Key

LEFPIELLEONLSB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

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

4.717

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.54

Polar Surface Area

46.034

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C777-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0903?
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What is the minimum amount of C777-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0903
  • 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 C777-0903 available by request