D458-0388 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one

D458-0388 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
D458-0388 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0388
2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-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

D458-0388

Molecular Formula

C24H32N6O (C24 H32 N6 O)

Compound Name

2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one

IUPAC name

2-[2-(4-tert-butylphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one

SMILES

CC(C)(C)c(cc1)ccc1-c1nn2c(C)c(CC(N3CCN(C)CC3)=O)c(C)nc2n1

InChI

InChI=1S/C24H32N6O/c1-16-20(15-21(31)29-13-11-28(6)12-14-29)17(2)30-23(25-16)26-22(27-30)18-7-9-19(10-8-18)24(3,4)5/h7-10H,11-15H2,1-6H3

InChI Key

VUWICNHTCQXEQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.50

Polar Surface Area

50.702

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D458-0388 in Drug Discovery

Included in Screening Libraries

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 D458-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0388?
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What is the minimum amount of D458-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0388
  • 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 D458-0388 available by request