C795-0871 Screening compound: methyl 4-{2-[4-fluoro(methyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C795-0871 Screening compound: methyl 4-{2-[4-fluoro(methyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C795-0871 Screening compound: methyl 4-{2-[4-fluoro(methyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0871
methyl 4-{2-[4-fluoro(methyl)anilino]-2-oxoethyl}-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

C795-0871

Molecular Formula

C17H15FN2O3S (C17 H15 FN2 O3 S)

Compound Name

methyl 4-{2-[4-fluoro(methyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

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

SMILES

CN(C(Cn(c(C(OC)=O)c1)c2c1scc2)=O)c(cc1)ccc1F

InChI

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

InChI Key

DPJLACLNLODTQY-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

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.77

Polar Surface Area

37.998

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C795-0871 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0871?
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What is the minimum amount of C795-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0871
  • 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 C795-0871 available by request