C301-2922 Screening compound: 5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-1,3,4-OXADIAZOLE-2-CARBOXAMIDE

C301-2922 Screening compound: 5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-1,3,4-OXADIAZOLE-2-CARBOXAMIDE
C301-2922 Screening compound: 5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-1,3,4-OXADIAZOLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2922
5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-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

C301-2922

Molecular Formula

C19H21N3O4 (C19 H21 N3 O4)

Compound Name

5-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-1,3,4-OXADIAZOLE-2-CARBOXAMIDE

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(Cc(cc2)cc3c2OCO3)o1)NCCC1=CCCCC1

InChI

InChI=1S/C19H21N3O4/c23-18(20-9-8-13-4-2-1-3-5-13)19-22-21-17(26-19)11-14-6-7-15-16(10-14)25-12-24-15/h4,6-7,10H,1-3,5,8-9,11-12H2,(H,20,23)

InChI Key

HVPCCLJVTOPBHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-2.96

Polar Surface Area

71.982

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C301-2922 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 C301-2922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2922?
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What is the minimum amount of C301-2922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2922
  • 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 C301-2922 available by request