Y080-0644 Screening compound: 1-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol

Y080-0644 Screening compound: 1-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol
Y080-0644 Screening compound: 1-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0644
1-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol

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

Y080-0644

Molecular Formula

C24H30N2O2 (C24 H30 N2 O2)

Compound Name

1-(2-cyclohexyl-1H-1,3-benzodiazol-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol

IUPAC name

1-(2-cyclohexyl-1H-13-benzodiazol-1-yl)-3-(24-dimethylphenoxy)propan-2-ol

SMILES

Cc(cc1)cc(C)c1OCC(Cn1c(cccc2)c2nc1C1CCCCC1)O

InChI

InChI=1S/C24H30N2O2/c1-17-12-13-23(18(2)14-17)28-16-20(27)15-26-22-11-7-6-10-21(22)25-24(26)19-8-4-3-5-9-19/h6-7,10-14,19-20,27H,3-5,8-9,15-16H2,1-2H3/t20-/m0/s1

InChI Key

DAFCTCQQKKTRRD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12548316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.663

Distribution Coefficient, logD

6.662

Water Solubility, LogSw

-5.57

Polar Surface Area

34.293

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

Y080-0644 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y080-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0644?
Check Price and Availability of Y080-0644, 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 Y080-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0644
  • 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 Y080-0644 available by request