V010-9335 Screening compound: 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine

V010-9335 Screening compound: 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine
V010-9335 Screening compound: 4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9335
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,3,5,6-tetramethylbenzenesulfonyl)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

V010-9335

Molecular Formula

C23H25F2N3O3S (C23 H25 F2 N3 O3 S)

Compound Name

4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine

IUPAC name

4-[3-(34-difluorophenyl)-124-oxadiazol-5-yl]-1-(2356-tetramethylbenzenesulfonyl)piperidine

SMILES

Cc1c(C)c(S(N(CC2)CCC2c2nc(-c(cc3)cc(F)c3F)no2)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C23H25F2N3O3S/c1-13-11-14(2)16(4)21(15(13)3)32(29,30)28-9-7-17(8-10-28)23-26-22(27-31-23)18-5-6-19(24)20(25)12-18/h5-6,11-12,17H,7-10H2,1-4H3

InChI Key

AQXSISAPXQCZJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.459

Distribution Coefficient, logD

6.459

Water Solubility, LogSw

-5.81

Polar Surface Area

63.355

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V010-9335 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 V010-9335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9335?
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What is the minimum amount of V010-9335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9335
  • 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 V010-9335 available by request