D654-0349 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-ethylbutanamide

D654-0349 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-ethylbutanamide
D654-0349 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0349
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-ethylbutanamide

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

D654-0349

Molecular Formula

C20H20ClN3O2 (C20 H20 ClN3 O2)

Compound Name

N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-ethylbutanamide

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]phenyl}-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(cccc1)c1-c1nc(-c(cc2)ccc2Cl)no1)=O

InChI

InChI=1S/C20H20ClN3O2/c1-3-13(4-2)19(25)22-17-8-6-5-7-16(17)20-23-18(24-26-20)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3,(H,22,25)

InChI Key

KUMHUYMNMWZOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.98

Polar Surface Area

54.309

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D654-0349 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D654-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0349?
Check Price and Availability of D654-0349, 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 D654-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0349
  • 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 D654-0349 available by request