D513-3666 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide

D513-3666 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide
D513-3666 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3666
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-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

D513-3666

Molecular Formula

C22H19ClN6O2S (C22 H19 ClN6 O2 S)

Compound Name

N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(3-cyanophenyl)methyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(Cc1cc(C#N)ccc1)c(nc1nc2C)nn1c(C)c2Cl)(=O)=O

InChI

InChI=1S/C22H19ClN6O2S/c1-14-7-9-19(10-8-14)32(30,31)28(13-18-6-4-5-17(11-18)12-24)22-26-21-25-15(2)20(23)16(3)29(21)27-22/h4-11H,13H2,1-3H3

InChI Key

YRXQPAPFZWDIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.67

Polar Surface Area

78.913

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D513-3666 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D513-3666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3666?
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What is the minimum amount of D513-3666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3666
  • 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 D513-3666 available by request