Y043-8222 Screening compound: 3-(7-chloro-1-methyl-1H-1,3-benzimidazol-2-yl)propanoic acid

Y043-8222 Screening compound: 3-(7-chloro-1-methyl-1H-1,3-benzimidazol-2-yl)propanoic acid
Y043-8222 Screening compound: 3-(7-chloro-1-methyl-1H-1,3-benzimidazol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8222
3-(7-chloro-1-methyl-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

Y043-8222

Molecular Formula

C11H11ClN2O2 (C11 H11 ClN2 O2)

Compound Name

3-(7-chloro-1-methyl-1H-1,3-benzimidazol-2-yl)propanoic acid

IUPAC name

3-(7-chloro-1-methyl-1H-13-benzodiazol-2-yl)propanoic acid

SMILES

Cn(c(CCC(O)=O)nc1ccc2)c1c2Cl

InChI

InChI=1S/C11H11ClN2O2/c1-14-9(5-6-10(15)16)13-8-4-2-3-7(12)11(8)14/h2-4H,5-6H2,1H3,(H,15,16)

InChI Key

LMGDISFVMJXNBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11053214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.708

Distribution Coefficient, logD

-1.118

Water Solubility, LogSw

-2.36

Polar Surface Area

40.385

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y043-8222 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-8222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8222?
Check Price and Availability of Y043-8222, 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 Y043-8222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8222
  • 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 Y043-8222 available by request