D513-3587 Screening compound: 4-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide

D513-3587 Screening compound: 4-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide
D513-3587 Screening compound: 4-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3587
4-chloro-N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]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

D513-3587

Molecular Formula

C20H17ClFN5O2S (C20 H17 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nc2nc(N(Cc3cc(F)ccc3)S(c(cc3)ccc3Cl)(=O)=O)nn12

InChI

InChI=1S/C20H17ClFN5O2S/c1-13-10-14(2)27-19(23-13)24-20(25-27)26(12-15-4-3-5-17(22)11-15)30(28,29)18-8-6-16(21)7-9-18/h3-11H,12H2,1-2H3

InChI Key

XCCOQQWSULVPRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.30

Polar Surface Area

61.310

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D513-3587 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D513-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3587?
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What is the minimum amount of D513-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3587
  • 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 D513-3587 available by request