G602-0035 Screening compound: 1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

G602-0035 Screening compound: 1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
G602-0035 Screening compound: 1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G602-0035
1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)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

G602-0035

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

IUPAC name

1-(benzenesulfonyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-124-oxadiazol-5-yl}piperidine

SMILES

CC(C)Oc(ccc(-c1noc(C(CC2)CCN2S(c2ccccc2)(=O)=O)n1)c1)c1OC

InChI

InChI=1S/C23H27N3O5S/c1-16(2)30-20-10-9-18(15-21(20)29-3)22-24-23(31-25-22)17-11-13-26(14-12-17)32(27,28)19-7-5-4-6-8-19/h4-10,15-17H,11-14H2,1-3H3

InChI Key

VNCLUVNZCVVPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.40

Polar Surface Area

77.875

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G602-0035 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 G602-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G602-0035?
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What is the minimum amount of G602-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G602-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G602-0035
  • 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 G602-0035 available by request