0052-0023 Screening compound: 2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate

0052-0023 Screening compound: 2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate
0052-0023 Screening compound: 2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0023
2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate

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

0052-0023

Molecular Formula

C23H32O3 (C23 H32 O3)

Compound Name

2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate

IUPAC name

2-(prop-2-yn-1-yloxy)ethyl 4-(4-pentylcyclohexyl)benzoate

SMILES

CCCCCC(CC1)CCC1c(cc1)ccc1C(OCCOCC#C)=O

InChI

InChI=1S/C23H32O3/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23(24)26-18-17-25-16-4-2/h2,12-15,19-20H,3,5-11,16-18H2,1H3

InChI Key

KEOUKGJSEHLVFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.025

Distribution Coefficient, logD

7.025

Water Solubility, LogSw

-5.80

Polar Surface Area

29.478

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

0052-0023 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0052-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0023?
Check Price and Availability of 0052-0023, 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 0052-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0023
  • 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 0052-0023 available by request