Y031-3005 Screening compound: N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-methylbenzamide

Y031-3005 Screening compound: N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-methylbenzamide
Y031-3005 Screening compound: N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3005
N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-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

Y031-3005

Molecular Formula

C23H21FN2O2 (C23 H21 FN2 O2)

Compound Name

N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-methylbenzamide

IUPAC name

N-benzyl-2-[2-(4-fluorophenyl)acetamido]-N-methylbenzamide

SMILES

CN(Cc1ccccc1)C(c(cccc1)c1NC(Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C23H21FN2O2/c1-26(16-18-7-3-2-4-8-18)23(28)20-9-5-6-10-21(20)25-22(27)15-17-11-13-19(24)14-12-17/h2-14H,15-16H2,1H3,(H,25,27)

InChI Key

PMDIUZWIBOTCCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07140557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.10

Polar Surface Area

38.569

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

Y031-3005 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3005?
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What is the minimum amount of Y031-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3005
  • 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 Y031-3005 available by request