C999-0763 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide

C999-0763 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
C999-0763 Screening compound: 3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0763
3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide

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

C999-0763

Molecular Formula

C22H19Cl2N5O (C22 H19 Cl2 N5 O)

Compound Name

3-[2-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide

IUPAC name

3-[2-(24-dichlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-phenylpropanamide

SMILES

Cc1c(CCC(Nc2ccccc2)=O)c(C)nc2nc(-c(ccc(Cl)c3)c3Cl)nn12

InChI

InChI=1S/C22H19Cl2N5O/c1-13-17(10-11-20(30)26-16-6-4-3-5-7-16)14(2)29-22(25-13)27-21(28-29)18-9-8-15(23)12-19(18)24/h3-9,12H,10-11H2,1-2H3,(H,26,30)

InChI Key

WIQJHARPICQSON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.69

Polar Surface Area

53.982

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C999-0763 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C999-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0763?
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What is the minimum amount of C999-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0763
  • 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 C999-0763 available by request