D646-0099 Screening compound: N-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide

D646-0099 Screening compound: N-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide
D646-0099 Screening compound: N-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D646-0099
N-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide

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

D646-0099

Molecular Formula

C18H15ClFN3O3 (C18 H15 ClFN3 O3)

Compound Name

N-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide

IUPAC name

N-[5-(3-chlorophenyl)-124-oxadiazol-3-yl]-2-(2-fluorophenoxy)butanamide

SMILES

CCC(C(Nc1noc(-c2cccc(Cl)c2)n1)=O)Oc(cccc1)c1F

InChI

InChI=1S/C18H15ClFN3O3/c1-2-14(25-15-9-4-3-8-13(15)20)16(24)21-18-22-17(26-23-18)11-6-5-7-12(19)10-11/h3-10,14H,2H2,1H3,(H,21,23,24)/t14-/m0/s1

InChI Key

NBXYEQXDQDNPJU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18079084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.79

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

5.032

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.14

Polar Surface Area

62.900

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D646-0099 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D646-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D646-0099?
Check Price and Availability of D646-0099, 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 D646-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D646-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D646-0099
  • 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 D646-0099 available by request