C794-1201 Screening compound: methyl 6-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

C794-1201 Screening compound: methyl 6-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
C794-1201 Screening compound: methyl 6-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1201
methyl 6-{[(2,4-dimethoxyphenyl)carbamoyl]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

C794-1201

Molecular Formula

C22H25N3O6S (C22 H25 N3 O6 S)

Compound Name

methyl 6-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-4-acetamido-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 6-{[(24-dimethoxyphenyl)carbamoyl]methyl}-4-acetamido-23-dimethyl-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CC(Nc1c(C(OC)=O)n(CC(Nc(ccc(OC)c2)c2OC)=O)c2c1c(C)c(C)s2)=O

InChI

InChI=1S/C22H25N3O6S/c1-11-12(2)32-21-18(11)19(23-13(3)26)20(22(28)31-6)25(21)10-17(27)24-15-8-7-14(29-4)9-16(15)30-5/h7-9H,10H2,1-6H3,(H,23,26)(H,24,27)

InChI Key

VOAXAANWDCKWFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

1.652

Water Solubility, LogSw

-3.03

Polar Surface Area

81.988

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C794-1201 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C794-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1201?
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What is the minimum amount of C794-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1201
  • 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 C794-1201 available by request