V009-1687 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine

V009-1687 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine
V009-1687 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1687
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine

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

V009-1687

Molecular Formula

C19H17FN4O5S (C19 H17 FN4 O5 S)

Compound Name

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine

IUPAC name

3-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-1-(4-nitrobenzenesulfonyl)piperidine

SMILES

[O-][N+](c(cc1)ccc1S(N(CCC1)CC1c1nc(-c(cc2)ccc2F)no1)(=O)=O)=O

InChI

InChI=1S/C19H17FN4O5S/c20-15-5-3-13(4-6-15)18-21-19(29-22-18)14-2-1-11-23(12-14)30(27,28)17-9-7-16(8-10-17)24(25)26/h3-10,14H,1-2,11-12H2/t14-/m0/s1

InChI Key

QSMXJCXQZOLALN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05709069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.34

Polar Surface Area

96.670

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

V009-1687 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-1687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1687?
Check Price and Availability of V009-1687, 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 V009-1687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1687
  • 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 V009-1687 available by request