D513-3694 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-(cyanomethyl)benzene-1-sulfonamide

D513-3694 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-(cyanomethyl)benzene-1-sulfonamide
D513-3694 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-(cyanomethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3694
4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-(cyanomethyl)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

D513-3694

Molecular Formula

C15H12Cl2N6O2S (C15 H12 Cl2 N6 O2 S)

Compound Name

4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-(cyanomethyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-(cyanomethyl)benzene-1-sulfonamide

SMILES

Cc(n1nc(N(CC#N)S(c(cc2)ccc2Cl)(=O)=O)nc1nc1C)c1Cl

InChI

InChI=1S/C15H12Cl2N6O2S/c1-9-13(17)10(2)23-14(19-9)20-15(21-23)22(8-7-18)26(24,25)12-5-3-11(16)4-6-12/h3-6H,8H2,1-2H3

InChI Key

HLSVJRLMBJLHHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.64

Polar Surface Area

79.599

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D513-3694 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D513-3694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3694?
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What is the minimum amount of D513-3694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3694
  • 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 D513-3694 available by request