C777-0869 Screening compound: methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0869 Screening compound: methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0869 Screening compound: methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-ethyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0869
methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-ethyl-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

C777-0869

Molecular Formula

C19H19ClN2O4S (C19 H19 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cc(n(CC(Nc(cc(cc2)Cl)c2OC)=O)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C19H19ClN2O4S/c1-4-12-8-14-17(27-12)9-15(19(24)26-3)22(14)10-18(23)21-13-7-11(20)5-6-16(13)25-2/h5-9H,4,10H2,1-3H3,(H,21,23)

InChI Key

SKRUWNQPCYOSMS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.51

Polar Surface Area

52.967

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C777-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0869?
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What is the minimum amount of C777-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0869
  • 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 C777-0869 available by request