D433-1316 Screening compound: 2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D433-1316 Screening compound: 2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D433-1316 Screening compound: 2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1316
2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-5,6-dimethyl-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

D433-1316

Molecular Formula

C15H16ClN5O2 (C15 H16 ClN5 O2)

Compound Name

2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(5-chloro-2-methoxyphenyl)amino]methyl}-56-dimethyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC1=C(C)Nc2nc(CNc(cc(cc3)Cl)c3OC)nn2C1=O

InChI

InChI=1S/C15H16ClN5O2/c1-8-9(2)18-15-19-13(20-21(15)14(8)22)7-17-11-6-10(16)4-5-12(11)23-3/h4-6,17H,7H2,1-3H3,(H,18,19,20)

InChI Key

WNGLRKRMPDJBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

0.344

Water Solubility, LogSw

-3.36

Polar Surface Area

68.681

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-1316 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D433-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1316?
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What is the minimum amount of D433-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1316
  • 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 D433-1316 available by request