G602-0288 Screening compound: 1-(thiophene-2-sulfonyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

G602-0288 Screening compound: 1-(thiophene-2-sulfonyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
G602-0288 Screening compound: 1-(thiophene-2-sulfonyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G602-0288
1-(thiophene-2-sulfonyl)-4-{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

G602-0288

Molecular Formula

C18H16F3N3O3S2 (C18 H16 F3 N3 O3 S2)

Compound Name

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

IUPAC name

1-(thiophene-2-sulfonyl)-4-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}piperidine

SMILES

O=S(c1cccs1)(N(CC1)CCC1c1nc(-c2cc(C(F)(F)F)ccc2)no1)=O

InChI

InChI=1S/C18H16F3N3O3S2/c19-18(20,21)14-4-1-3-13(11-14)16-22-17(27-23-16)12-6-8-24(9-7-12)29(25,26)15-5-2-10-28-15/h1-5,10-12H,6-9H2

InChI Key

BGBTZMWXJREUPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

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

4.860

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.94

Polar Surface Area

64.374

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G602-0288 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 G602-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G602-0288?
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What is the minimum amount of G602-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G602-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G602-0288
  • 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 G602-0288 available by request