D041-0140 Screening compound: methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate

D041-0140 Screening compound: methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate
D041-0140 Screening compound: methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0140
methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate

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

D041-0140

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate

IUPAC name

methyl 4-(3-phenyl-124-oxadiazol-5-yl)benzoate

SMILES

COC(c(cc1)ccc1-c1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C16H12N2O3/c1-20-16(19)13-9-7-12(8-10-13)15-17-14(18-21-15)11-5-3-2-4-6-11/h2-10H,1H3

InChI Key

MYJOWDJXRXSOKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03884827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.198

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.43

Polar Surface Area

52.818

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D041-0140 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D041-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0140?
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What is the minimum amount of D041-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0140
  • 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 D041-0140 available by request