5664-0371 Screening compound: 3-(2,2-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide

5664-0371 Screening compound: 3-(2,2-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide
5664-0371 Screening compound: 3-(2,2-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0371
3-(2,2-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide

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

5664-0371

Molecular Formula

C24H31NO2 (C24 H31 NO2)

Compound Name

3-(2,2-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide

IUPAC name

3-(22-dimethyloxan-4-yl)-N-(2-methylphenyl)-4-phenylbutanamide

SMILES

CC(C)(C1)OCCC1C(CC(Nc1c(C)cccc1)=O)Cc1ccccc1

InChI

InChI=1S/C24H31NO2/c1-18-9-7-8-12-22(18)25-23(26)16-21(15-19-10-5-4-6-11-19)20-13-14-27-24(2,3)17-20/h4-12,20-21H,13-17H2,1-3H3,(H,25,26)

InChI Key

PUNFMXCECALKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.55

Polar Surface Area

29.538

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

5664-0371 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5664-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0371?
Check Price and Availability of 5664-0371, 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 5664-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0371
  • 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 5664-0371 available by request