C301-4418 Screening compound: 3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}benzene-1-sulfonamide

C301-4418 Screening compound: 3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}benzene-1-sulfonamide
C301-4418 Screening compound: 3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4418
3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-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

C301-4418

Molecular Formula

C16H16N6O3S (C16 H16 N6 O3 S)

Compound Name

3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}benzene-1-sulfonamide

IUPAC name

3-cyano-N-{7-hydroxy-5-methyl-2-propyl-[124]triazolo[15-a]pyrimidin-6-yl}benzene-1-sulfonamide

SMILES

CCCc(nc1nc2C)nn1c(O)c2NS(c1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C16H16N6O3S/c1-3-5-13-19-16-18-10(2)14(15(23)22(16)20-13)21-26(24,25)12-7-4-6-11(8-12)9-17/h4,6-8,21,23H,3,5H2,1-2H3

InChI Key

BLDVJAOXQMAUDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.987

Distribution Coefficient, logD

-0.849

Water Solubility, LogSw

-2.23

Polar Surface Area

104.108

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-4418 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4418?
Check Price and Availability of C301-4418, 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 C301-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4418
  • 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 C301-4418 available by request