Y080-0783 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)cyclohexan-1-ol

Y080-0783 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)cyclohexan-1-ol
Y080-0783 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)cyclohexan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0783
2-(1H-1,3-benzodiazol-1-yl)cyclohexan-1-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

Y080-0783

Molecular Formula

C13H16N2O (C13 H16 N2 O)

Compound Name

2-(1H-1,3-benzodiazol-1-yl)cyclohexan-1-ol

IUPAC name

2-(1H-13-benzodiazol-1-yl)cyclohexan-1-ol

SMILES

OC(CCCC1)C1n1c(cccc2)c2nc1

InChI

InChI=1S/C13H16N2O/c16-13-8-4-3-7-12(13)15-9-14-10-5-1-2-6-11(10)15/h1-2,5-6,9,12-13,16H,3-4,7-8H2

InChI Key

VUBLCPRAFDAFRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11844265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

1.797

Water Solubility, LogSw

-1.49

Polar Surface Area

25.797

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

Y080-0783 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y080-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0783?
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What is the minimum amount of Y080-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0783
  • 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 Y080-0783 available by request