C498-0903 Screening compound: N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C498-0903 Screening compound: N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C498-0903 Screening compound: N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0903
N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

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

C498-0903

Molecular Formula

C20H13FN4OS (C20 H13 FN4 OS)

Compound Name

N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-(3-cyanophenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(Nc3cc(C#N)ccc3)=O)s1)nc2-c(cccc1)c1F

InChI

InChI=1S/C20H13FN4OS/c1-25-20-15(18(24-25)14-7-2-3-8-16(14)21)10-17(27-20)19(26)23-13-6-4-5-12(9-13)11-22/h2-10H,1H3,(H,23,26)

InChI Key

MUEVPVPSZBBCMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.40

Polar Surface Area

55.504

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C498-0903 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C498-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0903?
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What is the minimum amount of C498-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0903
  • 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 C498-0903 available by request