D433-1283 Screening compound: 2-{[(3,4-dimethylphenyl)amino]methyl}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D433-1283 Screening compound: 2-{[(3,4-dimethylphenyl)amino]methyl}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D433-1283 Screening compound: 2-{[(3,4-dimethylphenyl)amino]methyl}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1283
2-{[(3,4-dimethylphenyl)amino]methyl}-5-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

D433-1283

Molecular Formula

C15H17N5O (C15 H17 N5 O)

Compound Name

2-{[(3,4-dimethylphenyl)amino]methyl}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(34-dimethylphenyl)amino]methyl}-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc(cc1)c(C)cc1NCc(nc1NC(C)=C2)nn1C2=O

InChI

InChI=1S/C15H17N5O/c1-9-4-5-12(6-10(9)2)16-8-13-18-15-17-11(3)7-14(21)20(15)19-13/h4-7,16H,8H2,1-3H3,(H,17,18,19)

InChI Key

DXDVQMQJIRLLRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586061

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

-0.158

Water Solubility, LogSw

-2.86

Polar Surface Area

62.230

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-1283 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D433-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1283?
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What is the minimum amount of D433-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1283
  • 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 D433-1283 available by request