0074-0004 Screening compound: 4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate

0074-0004 Screening compound: 4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate
0074-0004 Screening compound: 4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0004
4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate

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

0074-0004

Molecular Formula

C27H44O3 (C27 H44 O3)

Compound Name

4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate

IUPAC name

4-(octyloxy)phenyl 4-hexylcyclohexane-1-carboxylate

SMILES

CCCCCCCCOc(cc1)ccc1OC(C1CCC(CCCCCC)CC1)=O

InChI

InChI=1S/C27H44O3/c1-3-5-7-9-10-12-22-29-25-18-20-26(21-19-25)30-27(28)24-16-14-23(15-17-24)13-11-8-6-4-2/h18-21,23-24H,3-17,22H2,1-2H3

InChI Key

WMRONTUGFKXXIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.261

Distribution Coefficient, logD

10.261

Water Solubility, LogSw

-5.88

Polar Surface Area

28.226

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.10

0074-0004 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0074-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0004?
Check Price and Availability of 0074-0004, 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 0074-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0004
  • 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 0074-0004 available by request