C794-1097 Screening compound: methyl 2-methyl-4-[2-oxo-2-(phenethylamino)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1097 Screening compound: methyl 2-methyl-4-[2-oxo-2-(phenethylamino)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1097 Screening compound: methyl 2-methyl-4-[2-oxo-2-(phenethylamino)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1097
methyl 2-methyl-4-[2-oxo-2-(phenethylamino)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

C794-1097

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

methyl 2-methyl-4-[2-oxo-2-(phenethylamino)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

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

SMILES

Cc1cc(n(CC(NCCc2ccccc2)=O)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C19H20N2O3S/c1-13-10-15-17(25-13)11-16(19(23)24-2)21(15)12-18(22)20-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)

InChI Key

DBMVKQYMTLODSA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.39

Polar Surface Area

47.198

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C794-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1097?
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What is the minimum amount of C794-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1097
  • 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 C794-1097 available by request