8017-3491 Screening compound: 1-[2-(1-hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol

8017-3491 Screening compound: 1-[2-(1-hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol
8017-3491 Screening compound: 1-[2-(1-hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3491
1-[2-(1-hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol

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

8017-3491

Molecular Formula

C14H22O2 (C14 H22 O2)

Compound Name

1-[2-(1-hydroxycyclohexyl)-1-ethynyl]-1-cyclohexanol

IUPAC name

1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol

SMILES

OC1(CCCCC1)C#CC1(CCCCC1)O

InChI

InChI=1S/C14H22O2/c15-13(7-3-1-4-8-13)11-12-14(16)9-5-2-6-10-14/h15-16H,1-10H2

InChI Key

YMAIXWWPLZFJLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00021400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-2.79

Polar Surface Area

31.497

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.71

8017-3491 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3491?
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What is the minimum amount of 8017-3491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3491
  • 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 8017-3491 available by request