C301-9645 Screening compound: 4-methyl-N~1~-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C301-9645 Screening compound: 4-methyl-N~1~-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
C301-9645 Screening compound: 4-methyl-N~1~-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9645
4-methyl-N~1~-[3-methyl-5-(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

C301-9645

Molecular Formula

C14H14N6O (C14 H14 N6 O)

Compound Name

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

IUPAC name

4-methyl-N-[3-methyl-5-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

SMILES

Cc1n[nH]c(-n2cnnc2)c1NC(c1ccc(C)cc1)=O

InChI

InChI=1S/C14H14N6O/c1-9-3-5-11(6-4-9)14(21)17-12-10(2)18-19-13(12)20-7-15-16-8-20/h3-8H,1-2H3,(H,17,21)(H,18,19)

InChI Key

SWIAKMNDMDMGIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

0.071

Water Solubility, LogSw

-1.83

Polar Surface Area

71.237

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with C301-9645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9645?
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What is the minimum amount of C301-9645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9645
  • 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 C301-9645 available by request