P018-0612 Screening compound: 4-cyano-2-fluoro-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide

P018-0612 Screening compound: 4-cyano-2-fluoro-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide
P018-0612 Screening compound: 4-cyano-2-fluoro-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P018-0612
4-cyano-2-fluoro-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide

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

P018-0612

Molecular Formula

C21H13FN4O2S (C21 H13 FN4 O2 S)

Compound Name

4-cyano-2-fluoro-N-{[5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide

IUPAC name

4-cyano-2-fluoro-N-{[5-(3-phenyl-124-oxadiazol-5-yl)thiophen-2-yl]methyl}benzamide

SMILES

N#Cc(cc1)cc(F)c1C(NCc1ccc(-c2nc(-c3ccccc3)no2)s1)=O

InChI

InChI=1S/C21H13FN4O2S/c22-17-10-13(11-23)6-8-16(17)20(27)24-12-15-7-9-18(29-15)21-25-19(26-28-21)14-4-2-1-3-5-14/h1-10H,12H2,(H,24,27)

InChI Key

QMPKBIWWPWKSBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-5.73

Polar Surface Area

74.132

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with P018-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P018-0612?
Check Price and Availability of P018-0612, 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 P018-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P018-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P018-0612
  • 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 P018-0612 available by request