Y200-6130 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-amido)benzoic acid

Y200-6130 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-amido)benzoic acid
Y200-6130 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6130
4-(2,3-dihydro-1,4-benzodioxine-6-amido)benzoic 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

Y200-6130

Molecular Formula

C16H13NO5 (C16 H13 NO5)

Compound Name

4-(2,3-dihydro-1,4-benzodioxine-6-amido)benzoic acid

IUPAC name

4-(23-dihydro-14-benzodioxine-6-amido)benzoic acid

SMILES

OC(c(cc1)ccc1NC(c(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C16H13NO5/c18-15(17-12-4-1-10(2-5-12)16(19)20)11-3-6-13-14(9-11)22-8-7-21-13/h1-6,9H,7-8H2,(H,17,18)(H,19,20)

InChI Key

KTOQLMSEMTTYOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04228252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

-0.464

Water Solubility, LogSw

-2.50

Polar Surface Area

67.561

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y200-6130 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y200-6130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6130?
Check Price and Availability of Y200-6130, 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 Y200-6130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6130
  • 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 Y200-6130 available by request