D433-0390 Screening compound: N-(3-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide

D433-0390 Screening compound: N-(3-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide
D433-0390 Screening compound: N-(3-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0390
N-(3-chlorophenyl)-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide

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

D433-0390

Molecular Formula

C21H24ClN5O (C21 H24 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nc2nc(CN(C(C3CCCCC3)=O)c3cccc(Cl)c3)nn12

InChI

InChI=1S/C21H24ClN5O/c1-14-11-15(2)27-21(23-14)24-19(25-27)13-26(18-10-6-9-17(22)12-18)20(28)16-7-4-3-5-8-16/h6,9-12,16H,3-5,7-8,13H2,1-2H3

InChI Key

ICLFBHMIOXQXPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.91

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

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.28

Polar Surface Area

47.363

Acid Dissociation Constant (pKa)

20.80

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D433-0390 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D433-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0390?
Check Price and Availability of D433-0390, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D433-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0390
  • 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 D433-0390 available by request