C498-0808 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C498-0808 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C498-0808 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0808
N-(4-chloro-2-methoxy-5-methylphenyl)-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

C498-0808

Molecular Formula

C21H17ClFN3O2S (C21 H17 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(c(OC)c1)NC(c2cc(c(-c(cccc3)c3F)nn3C)c3s2)=O)c1Cl

InChI

InChI=1S/C21H17ClFN3O2S/c1-11-8-16(17(28-3)10-14(11)22)24-20(27)18-9-13-19(25-26(2)21(13)29-18)12-6-4-5-7-15(12)23/h4-10H,1-3H3,(H,24,27)

InChI Key

TUBKZSZXNAWIDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.9

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

5.431

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.90

Polar Surface Area

45.380

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C498-0808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C498-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0808?
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What is the minimum amount of C498-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0808
  • 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 C498-0808 available by request