D481-0068 Screening compound: 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide

D481-0068 Screening compound: 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
D481-0068 Screening compound: 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0068
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)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

D481-0068

Molecular Formula

C24H25ClN6O2 (C24 H25 ClN6 O2)

Compound Name

3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide

IUPAC name

3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide

SMILES

CCc(cc1)ccc1NC(CCC1=C(C)Nc2nc(NCc(cc3)ccc3Cl)nn2C1=O)=O

InChI

InChI=1S/C24H25ClN6O2/c1-3-16-6-10-19(11-7-16)28-21(32)13-12-20-15(2)27-24-29-23(30-31(24)22(20)33)26-14-17-4-8-18(25)9-5-17/h4-11H,3,12-14H2,1-2H3,(H,28,32)(H2,26,27,29,30)

InChI Key

DWBCBLOVPWHSGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.41

Polar Surface Area

84.770

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-0068 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 D481-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0068?
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What is the minimum amount of D481-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0068
  • 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 D481-0068 available by request