P508-1218 Screening compound: N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide

P508-1218 Screening compound: N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
P508-1218 Screening compound: N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P508-1218
N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-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

P508-1218

Molecular Formula

C18H12BrFN6O2 (C18 H12 BrFN6 O2)

Compound Name

N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-(3-bromophenyl)-3-{1-[(4-fluorophenyl)methyl]-1H-123-triazol-4-yl}-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(-c2cn(Cc(cc3)ccc3F)nn2)no1)Nc1cccc(Br)c1

InChI

InChI=1S/C18H12BrFN6O2/c19-12-2-1-3-14(8-12)21-17(27)18-22-16(24-28-18)15-10-26(25-23-15)9-11-4-6-13(20)7-5-11/h1-8,10H,9H2,(H,21,27)

InChI Key

KWCZKVWARVOWAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.84

Polar Surface Area

81.520

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P508-1218 in Drug Discovery

Included in Screening Libraries

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 P508-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P508-1218?
Check Price and Availability of P508-1218, 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 P508-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P508-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P508-1218
  • 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 P508-1218 available by request