C301-5035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

C301-5035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
C301-5035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5035
2-(2H-1,3-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

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

C301-5035

Molecular Formula

C16H18N2O3 (C16 H18 N2 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-(4-methylcyclohexyl)-134-oxadiazole

SMILES

CC(CC1)CCC1c1nnc(-c(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C16H18N2O3/c1-10-2-4-11(5-3-10)15-17-18-16(21-15)12-6-7-13-14(8-12)20-9-19-13/h6-8,10-11H,2-5,9H2,1H3

InChI Key

USQKISPYJUBAQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.63

Polar Surface Area

47.790

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C301-5035 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-5035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5035?
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What is the minimum amount of C301-5035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5035
  • 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 C301-5035 available by request