Y032-4506 Screening compound: dimethyl 5-({4-[(4-methylbenzoyl)amino]benzoyl}amino)isophthalate

Y032-4506 Screening compound: dimethyl 5-({4-[(4-methylbenzoyl)amino]benzoyl}amino)isophthalate
Y032-4506 Screening compound: dimethyl 5-({4-[(4-methylbenzoyl)amino]benzoyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4506
dimethyl 5-({4-[(4-methylbenzoyl)amino]benzoyl}amino)isophthalate

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

Y032-4506

Molecular Formula

C25H22N2O6 (C25 H22 N2 O6)

Compound Name

dimethyl 5-({4-[(4-methylbenzoyl)amino]benzoyl}amino)isophthalate

IUPAC name

13-dimethyl 5-[4-(4-methylbenzamido)benzamido]benzene-13-dicarboxylate

SMILES

Cc(cc1)ccc1C(Nc(cc1)ccc1C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)=O

InChI

InChI=1S/C25H22N2O6/c1-15-4-6-16(7-5-15)22(28)26-20-10-8-17(9-11-20)23(29)27-21-13-18(24(30)32-2)12-19(14-21)25(31)33-3/h4-14H,1-3H3,(H,26,28)(H,27,29)

InChI Key

GHCHGDUXIHZMOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.60

Polar Surface Area

88.769

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y032-4506 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y032-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4506?
Check Price and Availability of Y032-4506, 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 Y032-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4506
  • 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 Y032-4506 available by request