Y080-1078 Screening compound: 3-[5-chloro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]propanoic acid

Y080-1078 Screening compound: 3-[5-chloro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]propanoic acid
Y080-1078 Screening compound: 3-[5-chloro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1078
3-[5-chloro-1-(propan-2-yl)-1H-1,3-benzodiazol-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

Y080-1078

Molecular Formula

C13H15ClN2O2 (C13 H15 ClN2 O2)

Compound Name

3-[5-chloro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]propanoic acid

IUPAC name

3-[5-chloro-1-(propan-2-yl)-1H-13-benzodiazol-2-yl]propanoic acid

SMILES

CC(C)n1c(ccc(Cl)c2)c2nc1CCC(O)=O

InChI

InChI=1S/C13H15ClN2O2/c1-8(2)16-11-4-3-9(14)7-10(11)15-12(16)5-6-13(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)

InChI Key

YWLPZMULRCEUDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12517336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.73

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

2.814

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-3.23

Polar Surface Area

40.874

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

Y080-1078 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with Y080-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1078?
Check Price and Availability of Y080-1078, 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 Y080-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1078
  • 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 Y080-1078 available by request