Y031-6111 Screening compound: 3-benzamido-N-cyclopentyl-4-methylbenzamide

Y031-6111 Screening compound: 3-benzamido-N-cyclopentyl-4-methylbenzamide
Y031-6111 Screening compound: 3-benzamido-N-cyclopentyl-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6111
3-benzamido-N-cyclopentyl-4-methylbenzamide

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

Y031-6111

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

3-benzamido-N-cyclopentyl-4-methylbenzamide

IUPAC name

3-benzamido-N-cyclopentyl-4-methylbenzamide

SMILES

Cc(ccc(C(NC1CCCC1)=O)c1)c1NC(c1ccccc1)=O

InChI

InChI=1S/C20H22N2O2/c1-14-11-12-16(20(24)21-17-9-5-6-10-17)13-18(14)22-19(23)15-7-3-2-4-8-15/h2-4,7-8,11-13,17H,5-6,9-10H2,1H3,(H,21,24)(H,22,23)

InChI Key

BYAFOPJUNQYJMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09460422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.80

Polar Surface Area

47.136

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y031-6111 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-6111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6111?
Check Price and Availability of Y031-6111, 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 Y031-6111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6111
  • 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 Y031-6111 available by request