D101-0480 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dimethylbenzamide

D101-0480 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dimethylbenzamide
D101-0480 Screening compound: N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0480
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dimethylbenzamide

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

D101-0480

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1C(NCc1nc(-c(cc2)ccc2Cl)no1)=O

InChI

InChI=1S/C18H16ClN3O2/c1-11-3-4-14(9-12(11)2)18(23)20-10-16-21-17(22-24-16)13-5-7-15(19)8-6-13/h3-9H,10H2,1-2H3,(H,20,23)

InChI Key

SVYBLUZYUVBNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.06

Polar Surface Area

55.995

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D101-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0480?
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What is the minimum amount of D101-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0480
  • 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 D101-0480 available by request