C794-1112 Screening compound: methyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1112 Screening compound: methyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1112 Screening compound: methyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1112
methyl 4-[2-(2-ethyl-6-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

C794-1112

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

methyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-2-methyl-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

CCc(cccc1C)c1NC(Cn(c(C(OC)=O)c1)c2c1sc(C)c2)=O

InChI

InChI=1S/C20H22N2O3S/c1-5-14-8-6-7-12(2)19(14)21-18(23)11-22-15-9-13(3)26-17(15)10-16(22)20(24)25-4/h6-10H,5,11H2,1-4H3,(H,21,23)

InChI Key

TVNVVJRCDOORMB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.29

Polar Surface Area

44.638

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C794-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1112?
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What is the minimum amount of C794-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1112
  • 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 C794-1112 available by request