Y200-6077 Screening compound: 4-(3,5-dimethoxyanilino)-4-oxobutanoic acid

Y200-6077 Screening compound: 4-(3,5-dimethoxyanilino)-4-oxobutanoic acid
Y200-6077 Screening compound: 4-(3,5-dimethoxyanilino)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6077
4-(3,5-dimethoxyanilino)-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

Y200-6077

Molecular Formula

C12H15NO5 (C12 H15 NO5)

Compound Name

4-(3,5-dimethoxyanilino)-4-oxobutanoic acid

IUPAC name

3-[(35-dimethoxyphenyl)carbamoyl]propanoic acid

SMILES

COc1cc(NC(CCC(O)=O)=O)cc(OC)c1

InChI

InChI=1S/C12H15NO5/c1-17-9-5-8(6-10(7-9)18-2)13-11(14)3-4-12(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)

InChI Key

UHFWIRKQCONONU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06067581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.929

Distribution Coefficient, logD

-2.021

Water Solubility, LogSw

-1.81

Polar Surface Area

66.859

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y200-6077 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-6077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6077?
Check Price and Availability of Y200-6077, 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 Y200-6077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6077
  • 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 Y200-6077 available by request