C777-0396 Screening compound: methyl 2-chloro-4-[2-(ethyl-3-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0396 Screening compound: methyl 2-chloro-4-[2-(ethyl-3-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0396 Screening compound: methyl 2-chloro-4-[2-(ethyl-3-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0396
methyl 2-chloro-4-[2-(ethyl-3-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

C777-0396

Molecular Formula

C19H19ClN2O3S (C19 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(Cn(c(C(OC)=O)c1)c2c1sc(Cl)c2)=O)c1cc(C)ccc1

InChI

InChI=1S/C19H19ClN2O3S/c1-4-21(13-7-5-6-12(2)8-13)18(23)11-22-14-10-17(20)26-16(14)9-15(22)19(24)25-3/h5-10H,4,11H2,1-3H3

InChI Key

RWXPQZLHXFVQAP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.52

Polar Surface Area

37.976

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C777-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0396?
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What is the minimum amount of C777-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0396
  • 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 C777-0396 available by request