C794-1105 Screening compound: methyl 4-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1105 Screening compound: methyl 4-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1105 Screening compound: methyl 4-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1105
methyl 4-[2-(2-fluoroanilino)-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

C794-1105

Molecular Formula

C17H15FN2O3S (C17 H15 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(CC(Nc(cccc2)c2F)=O)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C17H15FN2O3S/c1-10-7-13-15(24-10)8-14(17(22)23-2)20(13)9-16(21)19-12-6-4-3-5-11(12)18/h3-8H,9H2,1-2H3,(H,19,21)

InChI Key

VWKUYCXGFLLPMQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.81

Polar Surface Area

45.336

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with C794-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1105?
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What is the minimum amount of C794-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1105
  • 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 C794-1105 available by request