D011-2781 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-1-yl)propanoic acid

D011-2781 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-1-yl)propanoic acid
D011-2781 Screening compound: 3-(2-ethyl-1H-1,3-benzodiazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2781
3-(2-ethyl-1H-1,3-benzodiazol-1-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

D011-2781

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3-(2-ethyl-1H-1,3-benzodiazol-1-yl)propanoic acid

IUPAC name

3-(2-ethyl-1H-13-benzodiazol-1-yl)propanoic acid

SMILES

CCc1nc(cccc2)c2n1CCC(O)=O

InChI

InChI=1S/C12H14N2O2/c1-2-11-13-9-5-3-4-6-10(9)14(11)8-7-12(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)

InChI Key

UJFYGDSZLPZQCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03848163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.439

Distribution Coefficient, logD

-1.369

Water Solubility, LogSw

-1.77

Polar Surface Area

39.777

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D011-2781 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2781?
Check Price and Availability of D011-2781, 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 D011-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2781
  • 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 D011-2781 available by request