D481-0312 Screening compound: N-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

D481-0312 Screening compound: N-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
D481-0312 Screening compound: N-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0312
N-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]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

D481-0312

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

N-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

IUPAC name

N-[7-(4-methylphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]propanamide

SMILES

CCC(Nc1nn(C(C=C(c2ccccc2)N2)c3ccc(C)cc3)c2n1)=O

InChI

InChI=1S/C21H21N5O/c1-3-19(27)23-20-24-21-22-17(15-7-5-4-6-8-15)13-18(26(21)25-20)16-11-9-14(2)10-12-16/h4-13,18H,3H2,1-2H3,(H2,22,23,24,25,27)/t18-/m0/s1

InChI Key

YSXBNMQHVZAPJY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27588738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.10

Polar Surface Area

61.943

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D481-0312 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with D481-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0312?
Check Price and Availability of D481-0312, 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 D481-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0312
  • 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 D481-0312 available by request