Y031-1604 Screening compound: N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide

Y031-1604 Screening compound: N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide
Y031-1604 Screening compound: N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1604
N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide

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

Y031-1604

Molecular Formula

C22H18ClFN2O2 (C22 H18 ClFN2 O2)

Compound Name

N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide

IUPAC name

N-benzyl-2-[2-(2-chloro-6-fluorophenyl)acetamido]benzamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc(cccc1)c1C(NCc1ccccc1)=O

InChI

InChI=1S/C22H18ClFN2O2/c23-18-10-6-11-19(24)17(18)13-21(27)26-20-12-5-4-9-16(20)22(28)25-14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,25,28)(H,26,27)

InChI Key

FENZBPPBBCSJAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07066807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.60

Polar Surface Area

46.832

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y031-1604 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
  • Others
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1604?
Check Price and Availability of Y031-1604, 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 Y031-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1604
  • 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 Y031-1604 available by request