0054-0034 Screening compound: 1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene

0054-0034 Screening compound: 1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene
0054-0034 Screening compound: 1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0034
1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene

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

0054-0034

Molecular Formula

C19H28O (C19 H28 O)

Compound Name

1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene

IUPAC name

1-(hexyloxy)-4-(4-methylcyclohex-1-en-1-yl)benzene

SMILES

CCCCCCOc(cc1)ccc1C1=CCC(C)CC1

InChI

InChI=1S/C19H28O/c1-3-4-5-6-15-20-19-13-11-18(12-14-19)17-9-7-16(2)8-10-17/h9,11-14,16H,3-8,10,15H2,1-2H3/t16-/m0/s1

InChI Key

IGWZJKCDNZUGBU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00421790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.43

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.091

Distribution Coefficient, logD

7.091

Water Solubility, LogSw

-5.89

Polar Surface Area

7.577

Acid Dissociation Constant (pKa)

24.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

0054-0034 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0054-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0034?
Check Price and Availability of 0054-0034, 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 0054-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0034
  • 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 0054-0034 available by request