Y500-0048 Screening compound: methyl 4-[(2,5-dichloroanilino)carbonyl]-2-[(2,2-diphenylacetyl)amino]benzoate

Y500-0048 Screening compound: methyl 4-[(2,5-dichloroanilino)carbonyl]-2-[(2,2-diphenylacetyl)amino]benzoate
Y500-0048 Screening compound: methyl 4-[(2,5-dichloroanilino)carbonyl]-2-[(2,2-diphenylacetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-0048
methyl 4-[(2,5-dichloroanilino)carbonyl]-2-[(2,2-diphenylacetyl)amino]benzoate

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

Y500-0048

Molecular Formula

C29H22Cl2N2O4 (C29 H22 Cl2 N2 O4)

Compound Name

methyl 4-[(2,5-dichloroanilino)carbonyl]-2-[(2,2-diphenylacetyl)amino]benzoate

IUPAC name

methyl 4-[(25-dichlorophenyl)carbamoyl]-2-(22-diphenylacetamido)benzoate

SMILES

COC(c(ccc(C(Nc(cc(cc1)Cl)c1Cl)=O)c1)c1NC(C(c1ccccc1)c1ccccc1)=O)=O

InChI

InChI=1S/C29H22Cl2N2O4/c1-37-29(36)22-14-12-20(27(34)33-25-17-21(30)13-15-23(25)31)16-24(22)32-28(35)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17,26H,1H3,(H,32,35)(H,33,34)

InChI Key

GSTHYFQIFIWLFM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.613

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-6.28

Polar Surface Area

65.928

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

Y500-0048 in Drug Discovery

Included in Screening Libraries

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 Y500-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-0048?
Check Price and Availability of Y500-0048, 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 Y500-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-0048
  • 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 Y500-0048 available by request