R052-1846 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid

R052-1846 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid
R052-1846 Screening compound: 2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1846
2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

R052-1846

Molecular Formula

C9H6ClNO4 (C9 H6 ClNO4)

Compound Name

2-(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid

IUPAC name

2-(6-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetic acid

SMILES

OC(CN(c(ccc(Cl)c1)c1O1)C1=O)=O

InChI

InChI=1S/C9H6ClNO4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4H2,(H,12,13)

InChI Key

GZVFFZYANBZGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.890

Distribution Coefficient, logD

-3.040

Water Solubility, LogSw

-2.10

Polar Surface Area

51.722

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

R052-1846 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with R052-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1846?
Check Price and Availability of R052-1846, 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 R052-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1846
  • 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 R052-1846 available by request