Y200-6098 Screening compound: 4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid

Y200-6098 Screening compound: 4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid
Y200-6098 Screening compound: 4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6098
4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid

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

Y200-6098

Molecular Formula

C12H13NO5 (C12 H13 NO5)

Compound Name

4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid

IUPAC name

3-{[3-(methoxycarbonyl)phenyl]carbamoyl}propanoic acid

SMILES

COC(c1cc(NC(CCC(O)=O)=O)ccc1)=O

InChI

InChI=1S/C12H13NO5/c1-18-12(17)8-3-2-4-9(7-8)13-10(14)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,16)

InChI Key

FXYTWWGVMMDECP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.061

Distribution Coefficient, logD

-1.888

Water Solubility, LogSw

-1.96

Polar Surface Area

72.945

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y200-6098 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-6098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6098?
Check Price and Availability of Y200-6098, 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 Y200-6098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6098
  • 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 Y200-6098 available by request