P508-0758 Screening compound: N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

P508-0758 Screening compound: N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
P508-0758 Screening compound: N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P508-0758
N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

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

P508-0758

Molecular Formula

C18H13BrN6O2 (C18 H13 BrN6 O2)

Compound Name

N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-(3-bromophenyl)-3-[1-(4-methylphenyl)-1H-123-triazol-4-yl]-124-oxadiazole-5-carboxamide

SMILES

Cc(cc1)ccc1-n1nnc(-c2noc(C(Nc3cccc(Br)c3)=O)n2)c1

InChI

InChI=1S/C18H13BrN6O2/c1-11-5-7-14(8-6-11)25-10-15(22-24-25)16-21-18(27-23-16)17(26)20-13-4-2-3-12(19)9-13/h2-10H,1H3,(H,20,26)

InChI Key

CVLLFSWVQYMAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.27

Polar Surface Area

81.372

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P508-0758 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P508-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P508-0758?
Check Price and Availability of P508-0758, 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 P508-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P508-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P508-0758
  • 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 P508-0758 available by request