C301-9755 Screening compound: 4-cyclohexyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

C301-9755 Screening compound: 4-cyclohexyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide
C301-9755 Screening compound: 4-cyclohexyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9755
4-cyclohexyl-N-[5-methyl-1-propyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

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

C301-9755

Molecular Formula

C21H28N6O2S (C21 H28 N6 O2 S)

Compound Name

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

IUPAC name

4-cyclohexyl-N-[5-methyl-1-propyl-3-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

SMILES

CCCn(c(C)c1NS(c2ccc(C3CCCCC3)cc2)(=O)=O)nc1-n1cnnc1

InChI

InChI=1S/C21H28N6O2S/c1-3-13-27-16(2)20(21(24-27)26-14-22-23-15-26)25-30(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h9-12,14-15,17,25H,3-8,13H2,1-2H3

InChI Key

ZOXMHXLRTDBMCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

-0.349

Water Solubility, LogSw

-3.71

Polar Surface Area

79.333

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C301-9755 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9755?
Check Price and Availability of C301-9755, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-9755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9755
  • 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 C301-9755 available by request