P950-0077 Screening compound: 2-phenyl-8-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine

P950-0077 Screening compound: 2-phenyl-8-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
P950-0077 Screening compound: 2-phenyl-8-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P950-0077
2-phenyl-8-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine

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

P950-0077

Molecular Formula

C18H15N7O (C18 H15 N7 O)

Compound Name

2-phenyl-8-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrimidine

IUPAC name

2-phenyl-8-{[124]triazolo[15-a]pyrimidine-2-carbonyl}-5H6H7H8H-imidazo[12-a]pyrimidine

SMILES

O=C(c1nn(cccn2)c2n1)N1c2nc(-c3ccccc3)cn2CCC1

InChI

InChI=1S/C18H15N7O/c26-16(15-21-17-19-8-4-11-25(17)22-15)24-10-5-9-23-12-14(20-18(23)24)13-6-2-1-3-7-13/h1-4,6-8,11-12H,5,9-10H2

InChI Key

DGFAZRIKILGGCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.534

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-1.51

Polar Surface Area

58.499

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P950-0077 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P950-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P950-0077?
Check Price and Availability of P950-0077, 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 P950-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P950-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P950-0077
  • 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 P950-0077 available by request