D400-2852 Screening compound: 4-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

D400-2852 Screening compound: 4-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
D400-2852 Screening compound: 4-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-2852
4-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

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

D400-2852

Molecular Formula

C17H15N3O2 (C17 H15 N3 O2)

Compound Name

4-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

IUPAC name

4-methyl-N-[4-(3-methyl-124-oxadiazol-5-yl)phenyl]benzamide

SMILES

Cc1noc(-c(cc2)ccc2NC(c2ccc(C)cc2)=O)n1

InChI

InChI=1S/C17H15N3O2/c1-11-3-5-13(6-4-11)16(21)19-15-9-7-14(8-10-15)17-18-12(2)20-22-17/h3-10H,1-2H3,(H,19,21)

InChI Key

UQVBCMKBTGPBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27583935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.52

Polar Surface Area

54.620

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D400-2852 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-2852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-2852?
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What is the minimum amount of D400-2852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-2852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-2852
  • 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 D400-2852 available by request