C453-0029 Screening compound: N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0029 Screening compound: N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0029 Screening compound: N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0029
N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-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

C453-0029

Molecular Formula

C21H18BrN3O2S (C21 H18 BrN3 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-(4-bromo-2-methylphenyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cc(cc(cc1)Br)c1NC(c1cc(c(-c2cc(OC)ccc2)nn2C)c2s1)=O

InChI

InChI=1S/C21H18BrN3O2S/c1-12-9-14(22)7-8-17(12)23-20(26)18-11-16-19(24-25(2)21(16)28-18)13-5-4-6-15(10-13)27-3/h4-11H,1-3H3,(H,23,26)

InChI Key

QCPWQRGIOBBDSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.36

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

5.414

Distribution Coefficient, logD

5.413

Water Solubility, LogSw

-5.57

Polar Surface Area

45.293

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C453-0029 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C453-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0029?
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What is the minimum amount of C453-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0029
  • 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 C453-0029 available by request