C301-9859 Screening compound: 4-fluoro-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide

C301-9859 Screening compound: 4-fluoro-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
C301-9859 Screening compound: 4-fluoro-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 C301-9859
4-fluoro-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

C301-9859

Molecular Formula

C16H17FN6O (C16 H17 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

CCCn(c(C)c1NC(c(cc2)ccc2F)=O)nc1-n1cnnc1

InChI

InChI=1S/C16H17FN6O/c1-3-8-23-11(2)14(15(21-23)22-9-18-19-10-22)20-16(24)12-4-6-13(17)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)

InChI Key

UYHJYGNOGOTNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

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

1.183

Distribution Coefficient, logD

-1.256

Water Solubility, LogSw

-2.13

Polar Surface Area

61.854

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-9859 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 C301-9859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9859?
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What is the minimum amount of C301-9859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9859
  • 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 C301-9859 available by request