D433-0079 Screening compound: 3-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

D433-0079 Screening compound: 3-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide
D433-0079 Screening compound: 3-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0079
3-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

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

D433-0079

Molecular Formula

C21H18ClN5O (C21 H18 ClN5 O)

Compound Name

3-chloro-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

IUPAC name

3-chloro-N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

SMILES

Cc1cc(C)nc2nc(CN(C(c3cccc(Cl)c3)=O)c3ccccc3)nn12

InChI

InChI=1S/C21H18ClN5O/c1-14-11-15(2)27-21(23-14)24-19(25-27)13-26(18-9-4-3-5-10-18)20(28)16-7-6-8-17(22)12-16/h3-12H,13H2,1-2H3

InChI Key

CDTIHKLWHWAKKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.67

Polar Surface Area

47.171

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D433-0079 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D433-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0079?
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What is the minimum amount of D433-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0079
  • 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 D433-0079 available by request