D041-0175 Screening compound: methyl 4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate

D041-0175 Screening compound: methyl 4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate
D041-0175 Screening compound: methyl 4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0175
methyl 4-{3-[4-(trifluoromethyl)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

D041-0175

Molecular Formula

C17H11F3N2O3 (C17 H11 F3 N2 O3)

Compound Name

methyl 4-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate

IUPAC name

methyl 4-{3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}benzoate

SMILES

COC(c(cc1)ccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1)=O

InChI

InChI=1S/C17H11F3N2O3/c1-24-16(23)12-4-2-11(3-5-12)15-21-14(22-25-15)10-6-8-13(9-7-10)17(18,19)20/h2-9H,1H3

InChI Key

JXTKFZNKWDNBPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.23

Polar Surface Area

52.818

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D041-0175 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D041-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0175?
Check Price and Availability of D041-0175, 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 D041-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0175
  • 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 D041-0175 available by request