D481-0021 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

D481-0021 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide
D481-0021 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0021
3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

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

D481-0021

Molecular Formula

C22H21FN6O2 (C22 H21 FN6 O2)

Compound Name

3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

IUPAC name

3-[2-(benzylamino)-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

SMILES

CC(Nc1nc(NCc2ccccc2)nn11)=C(CCC(Nc(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C22H21FN6O2/c1-14-16(11-12-19(30)26-18-10-6-5-9-17(18)23)20(31)29-22(25-14)27-21(28-29)24-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,26,30)(H2,24,25,27,28)

InChI Key

XPJDMCUNQLODBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-2.80

Polar Surface Area

84.072

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D481-0021 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D481-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0021?
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What is the minimum amount of D481-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0021
  • 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 D481-0021 available by request