Y042-3159 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid

Y042-3159 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
Y042-3159 Screening compound: 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3159
2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic 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

Y042-3159

Molecular Formula

C10H9NO4 (C10 H9 NO4)

Compound Name

2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid

IUPAC name

2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetic acid

SMILES

OC(CC1Oc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C10H9NO4/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13)/t8-/m0/s1

InChI Key

GBWCBWJRILQTBI-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00574012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.455

Distribution Coefficient, logD

-2.306

Water Solubility, LogSw

-1.70

Polar Surface Area

61.425

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y042-3159 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y042-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3159?
Check Price and Availability of Y042-3159, 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 Y042-3159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3159
  • 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 Y042-3159 available by request