C777-0815 Screening compound: methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0815 Screening compound: methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0815 Screening compound: methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0815
methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-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

C777-0815

Molecular Formula

C18H17ClN2O3S (C18 H17 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(CC(Nc(ccc(C)c2)c2Cl)=O)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C18H17ClN2O3S/c1-10-4-5-13(12(19)6-10)20-17(22)9-21-14-7-11(2)25-16(14)8-15(21)18(23)24-3/h4-8H,9H2,1-3H3,(H,20,22)

InChI Key

ODSSWTGBDUQCJG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.43

Polar Surface Area

45.336

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with C777-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0815?
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What is the minimum amount of C777-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0815
  • 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 C777-0815 available by request