C794-1203 Screening compound: methyl 4-acetamido-6-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

C794-1203 Screening compound: methyl 4-acetamido-6-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
C794-1203 Screening compound: methyl 4-acetamido-6-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-2,3-dimethyl-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1203
methyl 4-acetamido-6-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-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

C794-1203

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

methyl 4-acetamido-6-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-23-dimethyl-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CCc(cccc1C)c1NC(Cn1c(sc(C)c2C)c2c(NC(C)=O)c1C(OC)=O)=O

InChI

InChI=1S/C23H27N3O4S/c1-7-16-10-8-9-12(2)19(16)25-17(28)11-26-21(23(29)30-6)20(24-15(5)27)18-13(3)14(4)31-22(18)26/h8-10H,7,11H2,1-6H3,(H,24,27)(H,25,28)

InChI Key

PATABVSBIRHAHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.42

Polar Surface Area

66.116

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C794-1203 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C794-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1203?
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What is the minimum amount of C794-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1203
  • 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 C794-1203 available by request