Y031-0653 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N,N-bis(2-methylpropyl)propanamide

Y031-0653 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N,N-bis(2-methylpropyl)propanamide
Y031-0653 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N,N-bis(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0653
2-(4-chlorophenoxy)-2-methyl-N,N-bis(2-methylpropyl)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

Y031-0653

Molecular Formula

C18H28ClNO2 (C18 H28 ClNO2)

Compound Name

2-(4-chlorophenoxy)-2-methyl-N,N-bis(2-methylpropyl)propanamide

IUPAC name

2-(4-chlorophenoxy)-2-methyl-NN-bis(2-methylpropyl)propanamide

SMILES

CC(C)CN(CC(C)C)C(C(C)(C)Oc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H28ClNO2/c1-13(2)11-20(12-14(3)4)17(21)18(5,6)22-16-9-7-15(19)8-10-16/h7-10,13-14H,11-12H2,1-6H3

InChI Key

XZHPWAMTYYUSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.89

Polar Surface Area

22.941

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

Y031-0653 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0653?
Check Price and Availability of Y031-0653, 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 Y031-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0653
  • 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 Y031-0653 available by request