5752-0001 Screening compound: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

5752-0001 Screening compound: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
5752-0001 Screening compound: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-0001
1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic 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

5752-0001

Molecular Formula

C10H10N2O3 (C10 H10 N2 O3)

Compound Name

1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-carboxylic acid

SMILES

CN(c(ccc(C(O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)

InChI Key

YADNYMAVRMDIDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

-0.297

Water Solubility, LogSw

-1.77

Polar Surface Area

46.331

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5752-0001 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 5752-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-0001?
Check Price and Availability of 5752-0001, 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 5752-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-0001
  • 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 5752-0001 available by request