C301-9876 Screening compound: 2-methyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C301-9876 Screening compound: 2-methyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
C301-9876 Screening compound: 2-methyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9876
2-methyl-N-[5-methyl-1-propyl-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

C301-9876

Molecular Formula

C17H20N6O (C17 H20 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCCn(c(C)c1NC(c2c(C)cccc2)=O)nc1-n1cnnc1

InChI

InChI=1S/C17H20N6O/c1-4-9-23-13(3)15(16(21-23)22-10-18-19-11-22)20-17(24)14-8-6-5-7-12(14)2/h5-8,10-11H,4,9H2,1-3H3,(H,20,24)

InChI Key

PERPOKKIFRYVGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

-0.668

Water Solubility, LogSw

-2.37

Polar Surface Area

61.854

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C301-9876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9876?
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What is the minimum amount of C301-9876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9876
  • 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 C301-9876 available by request