D458-0066 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one

D458-0066 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one
D458-0066 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0066
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one

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

D458-0066

Molecular Formula

C19H20ClN5O (C19 H20 ClN5 O)

Compound Name

2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-[2-(4-chlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1c(CC(N2CCCC2)=O)c(C)nc2nc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C19H20ClN5O/c1-12-16(11-17(26)24-9-3-4-10-24)13(2)25-19(21-12)22-18(23-25)14-5-7-15(20)8-6-14/h5-8H,3-4,9-11H2,1-2H3

InChI Key

MILKMMWSKBCNNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.81

Polar Surface Area

47.591

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D458-0066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 D458-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0066?
Check Price and Availability of D458-0066, 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 D458-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0066
  • 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 D458-0066 available by request