C301-9495 Screening compound: 4-chloro-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C301-9495 Screening compound: 4-chloro-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
C301-9495 Screening compound: 4-chloro-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9495
4-chloro-N-[1-ethyl-5-methyl-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

C301-9495

Molecular Formula

C15H15ClN6O (C15 H15 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

CCn(c(C)c1NC(c(cc2)ccc2Cl)=O)nc1-n1cnnc1

InChI

InChI=1S/C15H15ClN6O/c1-3-22-10(2)13(14(20-22)21-8-17-18-9-21)19-15(23)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3,(H,19,23)

InChI Key

KKFVGHNASXFIKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

-1.209

Water Solubility, LogSw

-2.79

Polar Surface Area

61.600

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-9495 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-9495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9495?
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What is the minimum amount of C301-9495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9495
  • 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 C301-9495 available by request