C301-9471 Screening compound: 2-bromo-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C301-9471 Screening compound: 2-bromo-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
C301-9471 Screening compound: 2-bromo-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9471
2-bromo-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

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

C301-9471

Molecular Formula

C14H13BrN6O (C14 H13 BrN6 O)

Compound Name

2-bromo-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

IUPAC name

2-bromo-N-[15-dimethyl-3-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

SMILES

Cc(n(C)nc1-n2cnnc2)c1NC(c(cccc1)c1Br)=O

InChI

InChI=1S/C14H13BrN6O/c1-9-12(13(19-20(9)2)21-7-16-17-8-21)18-14(22)10-5-3-4-6-11(10)15/h3-8H,1-2H3,(H,18,22)

InChI Key

UUGPCUHDZSTQFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.534

Distribution Coefficient, logD

-1.926

Water Solubility, LogSw

-2.25

Polar Surface Area

62.161

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C301-9471 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 C301-9471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9471?
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What is the minimum amount of C301-9471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9471
  • 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 C301-9471 available by request