Y031-0501 Screening compound: 3,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

Y031-0501 Screening compound: 3,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
Y031-0501 Screening compound: 3,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0501
3,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)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

Y031-0501

Molecular Formula

C23H31NO (C23 H31 NO)

Compound Name

3,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

IUPAC name

33-diphenyl-N-(244-trimethylpentan-2-yl)propanamide

SMILES

CC(C)(C)CC(C)(C)NC(CC(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C23H31NO/c1-22(2,3)17-23(4,5)24-21(25)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16-17H2,1-5H3,(H,24,25)

InChI Key

UCUCUQBMVKYEKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06152252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.734

Water Solubility, LogSw

-5.60

Polar Surface Area

23.729

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y031-0501 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0501?
Check Price and Availability of Y031-0501, 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 Y031-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0501
  • 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 Y031-0501 available by request