D458-0383 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one

D458-0383 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
D458-0383 Screening compound: 2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0383
2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-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

D458-0383

Molecular Formula

C25H34N6O (C25 H34 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(Cc1c(C)n2nc(-c3ccc(C(C)(C)C)cc3)nc2nc1C)=O

InChI

InChI=1S/C25H34N6O/c1-7-29-12-14-30(15-13-29)22(32)16-21-17(2)26-24-27-23(28-31(24)18(21)3)19-8-10-20(11-9-19)25(4,5)6/h8-11H,7,12-16H2,1-6H3

InChI Key

UODZUIGFHONZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.98

Polar Surface Area

50.762

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

D458-0383 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 D458-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0383?
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What is the minimum amount of D458-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0383
  • 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 D458-0383 available by request