Y043-8238 Screening compound: 3-(5,6-dimethyl-1H-1,3-benzimidazol-2-yl)propanoic acid

Y043-8238 Screening compound: 3-(5,6-dimethyl-1H-1,3-benzimidazol-2-yl)propanoic acid
Y043-8238 Screening compound: 3-(5,6-dimethyl-1H-1,3-benzimidazol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8238
3-(5,6-dimethyl-1H-1,3-benzimidazol-2-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

Y043-8238

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3-(5,6-dimethyl-1H-1,3-benzimidazol-2-yl)propanoic acid

IUPAC name

3-(56-dimethyl-1H-13-benzodiazol-2-yl)propanoic acid

SMILES

Cc(c(C)c1)cc2c1nc(CCC(O)=O)[nH]2

InChI

InChI=1S/C12H14N2O2/c1-7-5-9-10(6-8(7)2)14-11(13-9)3-4-12(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)

InChI Key

KWHVMRSTWKAEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07186395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

-0.244

Water Solubility, LogSw

-2.42

Polar Surface Area

48.904

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y043-8238 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-8238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8238?
Check Price and Availability of Y043-8238, 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 Y043-8238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8238
  • 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 Y043-8238 available by request