D400-2694 Screening compound: 2,2-dimethyl-N-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide

D400-2694 Screening compound: 2,2-dimethyl-N-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide
D400-2694 Screening compound: 2,2-dimethyl-N-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-2694
2,2-dimethyl-N-{4-[3-(4-methylphenyl)-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

D400-2694

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

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

IUPAC name

22-dimethyl-N-{4-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenyl}propanamide

SMILES

CC(C)(C)C(Nc(cc1)ccc1-c1nc(-c2ccc(C)cc2)no1)=O

InChI

InChI=1S/C20H21N3O2/c1-13-5-7-14(8-6-13)17-22-18(25-23-17)15-9-11-16(12-10-15)21-19(24)20(2,3)4/h5-12H,1-4H3,(H,21,24)

InChI Key

ZGDJMPFQGVQNJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27583898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-4.67

Polar Surface Area

55.007

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D400-2694 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D400-2694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-2694?
Check Price and Availability of D400-2694, 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 D400-2694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-2694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-2694
  • 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 D400-2694 available by request