C301-9218 Screening compound: 3-(2-chlorophenyl)-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide

C301-9218 Screening compound: 3-(2-chlorophenyl)-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
C301-9218 Screening compound: 3-(2-chlorophenyl)-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9218
3-(2-chlorophenyl)-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-4-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

C301-9218

Molecular Formula

C18H16ClN7O2 (C18 H16 ClN7 O2)

Compound Name

3-(2-chlorophenyl)-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-[15-dimethyl-3-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc(n(C)nc1-n2cnnc2)c1NC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C18H16ClN7O2/c1-10-15(17(23-25(10)3)26-8-20-21-9-26)22-18(27)14-11(2)28-24-16(14)12-6-4-5-7-13(12)19/h4-9H,1-3H3,(H,22,27)

InChI Key

SNLIYJACANNJRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.056

Distribution Coefficient, logD

-0.619

Water Solubility, LogSw

-2.95

Polar Surface Area

84.122

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C301-9218 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-9218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9218?
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What is the minimum amount of C301-9218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9218
  • 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 C301-9218 available by request