N013-0007 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

N013-0007 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
N013-0007 Screening compound: 3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N013-0007
3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic 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

N013-0007

Molecular Formula

C10H9NO4 (C10 H9 NO4)

Compound Name

3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

IUPAC name

3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanoic acid

SMILES

OC(CCN(c(cccc1)c1O1)C1=O)=O

InChI

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

InChI Key

BMLRDVCKJXMASM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00052166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.449

Distribution Coefficient, logD

-2.058

Water Solubility, LogSw

-1.41

Polar Surface Area

51.701

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

N013-0007 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with N013-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N013-0007?
Check Price and Availability of N013-0007, 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 N013-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N013-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N013-0007
  • 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 N013-0007 available by request