C498-0720 Screening compound: 3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

C498-0720 Screening compound: 3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
C498-0720 Screening compound: 3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0720
3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-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

C498-0720

Molecular Formula

C25H18FN3O2S (C25 H18 FN3 O2 S)

Compound Name

3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

3-(2-fluorophenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(Nc(cc3)ccc3Oc3ccccc3)=O)s1)nc2-c(cccc1)c1F

InChI

InChI=1S/C25H18FN3O2S/c1-29-25-20(23(28-29)19-9-5-6-10-21(19)26)15-22(32-25)24(30)27-16-11-13-18(14-12-16)31-17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)

InChI Key

PLQWNRMTTVYHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

5.972

Water Solubility, LogSw

-5.62

Polar Surface Area

45.195

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

C498-0720 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C498-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0720?
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What is the minimum amount of C498-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0720
  • 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 C498-0720 available by request