C301-9392 Screening compound: 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid

C301-9392 Screening compound: 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
C301-9392 Screening compound: 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9392
2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-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

C301-9392

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid

IUPAC name

2-(3-ethyl-2-oxo-23-dihydro-1H-13-benzodiazol-1-yl)acetic acid

SMILES

CCN(c(cccc1)c1N1CC(O)=O)C1=O

InChI

InChI=1S/C11H12N2O3/c1-2-12-8-5-3-4-6-9(8)13(11(12)16)7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)

InChI Key

OPFLZKSANFLFBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08245280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.579

Distribution Coefficient, logD

-3.351

Water Solubility, LogSw

-1.42

Polar Surface Area

46.500

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C301-9392 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-9392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9392?
Check Price and Availability of C301-9392, 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 C301-9392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9392
  • 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 C301-9392 available by request