D351-0285 Screening compound: 2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D351-0285 Screening compound: 2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D351-0285 Screening compound: 2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-0285
2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D351-0285

Molecular Formula

C21H28N6O (C21 H28 N6 O)

Compound Name

2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(C)(C)c(cc1)ccc1-c(nc1NC(CN2CCN(C)CC2)=C2)nn1C2=O

InChI

InChI=1S/C21H28N6O/c1-21(2,3)16-7-5-15(6-8-16)19-23-20-22-17(13-18(28)27(20)24-19)14-26-11-9-25(4)10-12-26/h5-8,13H,9-12,14H2,1-4H3,(H,22,23,24)

InChI Key

HZIZCGUPNAKMCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580822

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-3.20

Polar Surface Area

58.550

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D351-0285 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D351-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-0285?
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What is the minimum amount of D351-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-0285
  • 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 D351-0285 available by request