C301-3246 Screening compound: 5-[(benzenesulfonyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide

C301-3246 Screening compound: 5-[(benzenesulfonyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
C301-3246 Screening compound: 5-[(benzenesulfonyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3246
5-[(benzenesulfonyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide

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

C301-3246

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

5-[(benzenesulfonyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(benzenesulfonyl)methyl]-N-cyclooctyl-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(CS(c2ccccc2)(=O)=O)o1)NC1CCCCCCC1

InChI

InChI=1S/C18H23N3O4S/c22-17(19-14-9-5-2-1-3-6-10-14)18-21-20-16(25-18)13-26(23,24)15-11-7-4-8-12-15/h4,7-8,11-12,14H,1-3,5-6,9-10,13H2,(H,19,22)

InChI Key

OBHDDGCWSNNNQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-2.95

Polar Surface Area

83.926

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C301-3246 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C301-3246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3246?
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What is the minimum amount of C301-3246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3246
  • 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 C301-3246 available by request