D433-0122 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)-2-methylbenzamide

D433-0122 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)-2-methylbenzamide
D433-0122 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0122
N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)-2-methylbenzamide

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

D433-0122

Molecular Formula

C22H20FN5O (C22 H20 FN5 O)

Compound Name

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

IUPAC name

N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-(4-fluorophenyl)-2-methylbenzamide

SMILES

Cc(cccc1)c1C(N(Cc1nn2c(C)cc(C)nc2n1)c(cc1)ccc1F)=O

InChI

InChI=1S/C22H20FN5O/c1-14-6-4-5-7-19(14)21(29)27(18-10-8-17(23)9-11-18)13-20-25-22-24-15(2)12-16(3)28(22)26-20/h4-12H,13H2,1-3H3

InChI Key

MYGLPETYGUYCBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

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

3.380

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.70

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

18.20

D433-0122 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 D433-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0122?
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What is the minimum amount of D433-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0122
  • 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 D433-0122 available by request