P508-1591 Screening compound: 3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-N~5~-isopropyl-1,2,4-oxadiazole-5-carboxamide

P508-1591 Screening compound: 3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-N~5~-isopropyl-1,2,4-oxadiazole-5-carboxamide
P508-1591 Screening compound: 3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-N~5~-isopropyl-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P508-1591
3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-N~5~-isopropyl-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

P508-1591

Molecular Formula

C14H13FN6O2 (C14 H13 FN6 O2)

Compound Name

3-[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-N~5~-isopropyl-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[1-(4-fluorophenyl)-1H-123-triazol-4-yl]-N-(propan-2-yl)-124-oxadiazole-5-carboxamide

SMILES

CC(C)NC(c1nc(-c2cn(-c(cc3)ccc3F)nn2)no1)=O

InChI

InChI=1S/C14H13FN6O2/c1-8(2)16-13(22)14-17-12(19-23-14)11-7-21(20-18-11)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,16,22)

InChI Key

OCIUXNLIEKMSRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.29

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

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.41

Polar Surface Area

81.940

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with P508-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P508-1591?
Check Price and Availability of P508-1591, 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 P508-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P508-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P508-1591
  • 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 P508-1591 available by request