D041-0154 Screening compound: methyl 4-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate

D041-0154 Screening compound: methyl 4-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
D041-0154 Screening compound: methyl 4-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0154
methyl 4-[3-(5-chloro-2-methoxyphenyl)-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

D041-0154

Molecular Formula

C17H13ClN2O4 (C17 H13 ClN2 O4)

Compound Name

methyl 4-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate

IUPAC name

methyl 4-[3-(5-chloro-2-methoxyphenyl)-124-oxadiazol-5-yl]benzoate

SMILES

COC(c(cc1)ccc1-c1nc(-c(cc(cc2)Cl)c2OC)no1)=O

InChI

InChI=1S/C17H13ClN2O4/c1-22-14-8-7-12(18)9-13(14)15-19-16(24-20-15)10-3-5-11(6-4-10)17(21)23-2/h3-9H,1-2H3

InChI Key

SJYSXEZMXNVZNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.72

Polar Surface Area

60.448

Acid Dissociation Constant (pKa)

31.99

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D041-0154 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D041-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0154?
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What is the minimum amount of D041-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0154
  • 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 D041-0154 available by request