D413-0168 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

D413-0168 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide
D413-0168 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0168
N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-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

D413-0168

Molecular Formula

C24H19Cl2N5O2S (C24 H19 Cl2 N5 O2 S)

Compound Name

N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[57-bis(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3Cl)c2n1)(=O)=O

InChI

InChI=1S/C24H19Cl2N5O2S/c1-15-2-12-20(13-3-15)34(32,33)30-23-28-24-27-21(16-4-8-18(25)9-5-16)14-22(31(24)29-23)17-6-10-19(26)11-7-17/h2-14,22H,1H3,(H2,27,28,29,30)/t22-/m1/s1

InChI Key

YIDGQPFXMWUYTF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03684781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.447

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-6.79

Polar Surface Area

79.443

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

D413-0168 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 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
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D413-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0168?
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What is the minimum amount of D413-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0168
  • 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 D413-0168 available by request