G603-0108 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

G603-0108 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
G603-0108 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G603-0108
1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}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

G603-0108

Molecular Formula

C20H17ClF3N3O3S (C20 H17 ClF3 N3 O3 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

IUPAC name

1-(4-chlorobenzenesulfonyl)-3-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}piperidine

SMILES

O=S(c(cc1)ccc1Cl)(N(CCC1)CC1c1nc(-c2cc(C(F)(F)F)ccc2)no1)=O

InChI

InChI=1S/C20H17ClF3N3O3S/c21-16-6-8-17(9-7-16)31(28,29)27-10-2-4-14(12-27)19-25-18(26-30-19)13-3-1-5-15(11-13)20(22,23)24/h1,3,5-9,11,14H,2,4,10,12H2/t14-/m0/s1

InChI Key

SWBRFTAJNARJKD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15022419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-6.26

Polar Surface Area

63.289

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G603-0108 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 G603-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G603-0108?
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What is the minimum amount of G603-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G603-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G603-0108
  • 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 G603-0108 available by request