D458-0163 Screening compound: N-butyl-2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

D458-0163 Screening compound: N-butyl-2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
D458-0163 Screening compound: N-butyl-2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0163
N-butyl-2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

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

D458-0163

Molecular Formula

C19H22ClN5O (C19 H22 ClN5 O)

Compound Name

N-butyl-2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

IUPAC name

N-butyl-2-[2-(2-chlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]acetamide

SMILES

CCCCNC(Cc1c(C)n2nc(-c(cccc3)c3Cl)nc2nc1C)=O

InChI

InChI=1S/C19H22ClN5O/c1-4-5-10-21-17(26)11-15-12(2)22-19-23-18(24-25(19)13(15)3)14-8-6-7-9-16(14)20/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)

InChI Key

BIYNWLIWWCBWAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.69

Polar Surface Area

55.417

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D458-0163 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D458-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0163?
Check Price and Availability of D458-0163, 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 D458-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0163
  • 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 D458-0163 available by request