D101-0539 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-diethoxybenzamide

D101-0539 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-diethoxybenzamide
D101-0539 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0539
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-diethoxybenzamide

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

D101-0539

Molecular Formula

C20H20ClN3O4 (C20 H20 ClN3 O4)

Compound Name

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-diethoxybenzamide

IUPAC name

N-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-34-diethoxybenzamide

SMILES

CCOc(ccc(C(NCc1nc(-c(cc2)ccc2Cl)no1)=O)c1)c1OCC

InChI

InChI=1S/C20H20ClN3O4/c1-3-26-16-10-7-14(11-17(16)27-4-2)20(25)22-12-18-23-19(24-28-18)13-5-8-15(21)9-6-13/h5-11H,3-4,12H2,1-2H3,(H,22,25)

InChI Key

UBVMXYPFNAICSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.51

Polar Surface Area

70.415

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D101-0539 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D101-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0539?
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What is the minimum amount of D101-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0539
  • 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 D101-0539 available by request