Y031-9616 Screening compound: N-[3-(acetylamino)phenyl]-3,4-dimethylbenzamide

Y031-9616 Screening compound: N-[3-(acetylamino)phenyl]-3,4-dimethylbenzamide
Y031-9616 Screening compound: N-[3-(acetylamino)phenyl]-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9616
N-[3-(acetylamino)phenyl]-3,4-dimethylbenzamide

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

Y031-9616

Molecular Formula

C17H18N2O2 (C17 H18 N2 O2)

Compound Name

N-[3-(acetylamino)phenyl]-3,4-dimethylbenzamide

IUPAC name

N-(3-acetamidophenyl)-34-dimethylbenzamide

SMILES

CC(Nc1cccc(NC(c2cc(C)c(C)cc2)=O)c1)=O

InChI

InChI=1S/C17H18N2O2/c1-11-7-8-14(9-12(11)2)17(21)19-16-6-4-5-15(10-16)18-13(3)20/h4-10H,1-3H3,(H,18,20)(H,19,21)

InChI Key

JIXJBXASMJHHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.25

Polar Surface Area

46.592

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

Y031-9616 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-9616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9616?
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What is the minimum amount of Y031-9616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9616
  • 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 Y031-9616 available by request