D654-0396 Screening compound: 2-(2-fluorophenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide

D654-0396 Screening compound: 2-(2-fluorophenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide
D654-0396 Screening compound: 2-(2-fluorophenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0396
2-(2-fluorophenoxy)-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide

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

D654-0396

Molecular Formula

C23H17F2N3O3 (C23 H17 F2 N3 O3)

Compound Name

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

IUPAC name

2-(2-fluorophenoxy)-N-{2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]phenyl}propanamide

SMILES

CC(C(Nc(cccc1)c1-c1nc(-c(cc2)ccc2F)no1)=O)Oc(cccc1)c1F

InChI

InChI=1S/C23H17F2N3O3/c1-14(30-20-9-5-3-7-18(20)25)22(29)26-19-8-4-2-6-17(19)23-27-21(28-31-23)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,29)/t14-/m0/s1

InChI Key

YLROHSDDTURXRR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18078946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.4

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

5.494

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.45

Polar Surface Area

60.913

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D654-0396 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D654-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0396?
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What is the minimum amount of D654-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0396
  • 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 D654-0396 available by request