D245-0167 Screening compound: 1-(3-{[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one

D245-0167 Screening compound: 1-(3-{[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
D245-0167 Screening compound: 1-(3-{[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0167
1-(3-{[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)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

D245-0167

Molecular Formula

C20H16ClN5O (C20 H16 ClN5 O)

Compound Name

1-(3-{[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one

IUPAC name

1-(3-{[2-(4-chlorophenyl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one

SMILES

CC(c1cccc(Nc2cc(C)nc3nc(-c(cc4)ccc4Cl)nn23)c1)=O

InChI

InChI=1S/C20H16ClN5O/c1-12-10-18(23-17-5-3-4-15(11-17)13(2)27)26-20(22-12)24-19(25-26)14-6-8-16(21)9-7-14/h3-11,23H,1-2H3

InChI Key

LTPTUGGNQQLXGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.65

Polar Surface Area

53.667

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D245-0167 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D245-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0167?
Check Price and Availability of D245-0167, 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 D245-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0167
  • 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 D245-0167 available by request