Y031-9338 Screening compound: 4-(benzoylamino)-N-[4-(benzoylamino)benzoyl]-N-(4-methyl-2-pyridyl)benzamide

Y031-9338 Screening compound: 4-(benzoylamino)-N-[4-(benzoylamino)benzoyl]-N-(4-methyl-2-pyridyl)benzamide
Y031-9338 Screening compound: 4-(benzoylamino)-N-[4-(benzoylamino)benzoyl]-N-(4-methyl-2-pyridyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9338
4-(benzoylamino)-N-[4-(benzoylamino)benzoyl]-N-(4-methyl-2-pyridyl)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

Y031-9338

Molecular Formula

C34H26N4O4 (C34 H26 N4 O4)

Compound Name

4-(benzoylamino)-N-[4-(benzoylamino)benzoyl]-N-(4-methyl-2-pyridyl)benzamide

IUPAC name

4-benzamido-N-(4-benzamidobenzoyl)-N-(4-methylpyridin-2-yl)benzamide

SMILES

Cc1cc(N(C(c(cc2)ccc2NC(c2ccccc2)=O)=O)C(c(cc2)ccc2NC(c2ccccc2)=O)=O)ncc1

InChI

InChI=1S/C34H26N4O4/c1-23-20-21-35-30(22-23)38(33(41)26-12-16-28(17-13-26)36-31(39)24-8-4-2-5-9-24)34(42)27-14-18-29(19-15-27)37-32(40)25-10-6-3-7-11-25/h2-22H,1H3,(H,36,39)(H,37,40)

InChI Key

XKCGHDNYDKXGPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15147616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

4.996

Water Solubility, LogSw

-4.60

Polar Surface Area

82.999

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.94

Y031-9338 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-9338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9338?
Check Price and Availability of Y031-9338, 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 Y031-9338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9338
  • 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 Y031-9338 available by request