8016-6511 Screening compound: N~5~-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

8016-6511 Screening compound: N~5~-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
8016-6511 Screening compound: N~5~-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6511
N~5~-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-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

8016-6511

Molecular Formula

C21H23N3O6 (C21 H23 N3 O6)

Compound Name

N~5~-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-N-[2-(34-dimethoxyphenyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

COc(ccc(CCNC(c1nc(-c(cc2)cc(OC)c2OC)no1)=O)c1)c1OC

InChI

InChI=1S/C21H23N3O6/c1-26-15-7-5-13(11-17(15)28-3)9-10-22-20(25)21-23-19(24-30-21)14-6-8-16(27-2)18(12-14)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)

InChI Key

GVKZOYXTOVFRQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.90

Polar Surface Area

86.692

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8016-6511 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6511?
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What is the minimum amount of 8016-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6511
  • 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 8016-6511 available by request