C320-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C320-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C320-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C320-0165
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

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

C320-0165

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]propanamide

SMILES

COc(cc1)ccc1-c1noc(CCC(NCc(cc2)cc3c2OCO3)=O)n1

InChI

InChI=1S/C20H19N3O5/c1-25-15-5-3-14(4-6-15)20-22-19(28-23-20)9-8-18(24)21-11-13-2-7-16-17(10-13)27-12-26-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)

InChI Key

CRAKLQGTMKSHBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09340315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.55

Polar Surface Area

80.441

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C320-0165 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 C320-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C320-0165?
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What is the minimum amount of C320-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C320-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C320-0165
  • 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 C320-0165 available by request