D481-0054 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-propylpropanamide

D481-0054 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-propylpropanamide
D481-0054 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-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0054
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide

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

D481-0054

Molecular Formula

C19H23ClN6O2 (C19 H23 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-propylpropanamide

IUPAC name

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

SMILES

CCCNC(CCC1=C(C)Nc2nc(NCc(cc3)ccc3Cl)nn2C1=O)=O

InChI

InChI=1S/C19H23ClN6O2/c1-3-10-21-16(27)9-8-15-12(2)23-19-24-18(25-26(19)17(15)28)22-11-13-4-6-14(20)7-5-13/h4-7H,3,8-11H2,1-2H3,(H,21,27)(H2,22,23,24,25)

InChI Key

NNXNYPINEWVWRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

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

2.116

Distribution Coefficient, logD

2.072

Water Solubility, LogSw

-3.11

Polar Surface Area

86.205

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D481-0054 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D481-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0054?
Check Price and Availability of D481-0054, 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 D481-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0054
  • 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 D481-0054 available by request