D101-0535 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dimethylbenzamide

D101-0535 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dimethylbenzamide
D101-0535 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0535
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,4-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

D101-0535

Molecular Formula

C19H19N3O3 (C19 H19 N3 O3)

Compound Name

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

IUPAC name

N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-24-dimethylbenzamide

SMILES

Cc(cc1)cc(C)c1C(NCc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C19H19N3O3/c1-12-4-9-16(13(2)10-12)19(23)20-11-17-21-18(22-25-17)14-5-7-15(24-3)8-6-14/h4-10H,11H2,1-3H3,(H,20,23)

InChI Key

JUSMFVPPXKIJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.31

Polar Surface Area

63.539

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D101-0535 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D101-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0535?
Check Price and Availability of D101-0535, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D101-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0535
  • 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 D101-0535 available by request