D654-0412 Screening compound: 2-(2,3-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

D654-0412 Screening compound: 2-(2,3-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
D654-0412 Screening compound: 2-(2,3-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0412
2-(2,3-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

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

D654-0412

Molecular Formula

C24H20FN3O3 (C24 H20 FN3 O3)

Compound Name

2-(2,3-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

IUPAC name

2-(23-dimethylphenoxy)-N-{2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]phenyl}acetamide

SMILES

Cc1cccc(OCC(Nc(cccc2)c2-c2nc(-c(cc3)ccc3F)no2)=O)c1C

InChI

InChI=1S/C24H20FN3O3/c1-15-6-5-9-21(16(15)2)30-14-22(29)26-20-8-4-3-7-19(20)24-27-23(28-31-24)17-10-12-18(25)13-11-17/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

ZUZIYBOZZFMGDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.706

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.50

Polar Surface Area

61.410

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D654-0412 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D654-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0412?
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What is the minimum amount of D654-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0412
  • 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 D654-0412 available by request