0368-0072 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 3,4-dichlorobenzoate

0368-0072 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 3,4-dichlorobenzoate
0368-0072 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 3,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0368-0072
5-methyl-2-(propan-2-yl)cyclohexyl 3,4-dichlorobenzoate

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

0368-0072

Molecular Formula

C17H22Cl2O2 (C17 H22 Cl2 O2)

Compound Name

5-methyl-2-(propan-2-yl)cyclohexyl 3,4-dichlorobenzoate

IUPAC name

5-methyl-2-(propan-2-yl)cyclohexyl 34-dichlorobenzoate

SMILES

CC(C)C(CCC(C)C1)C1OC(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C17H22Cl2O2/c1-10(2)13-6-4-11(3)8-16(13)21-17(20)12-5-7-14(18)15(19)9-12/h5,7,9-11,13,16H,4,6,8H2,1-3H3

InChI Key

JLGBVTAIQQGBSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.826

Distribution Coefficient, logD

6.826

Water Solubility, LogSw

-6.52

Polar Surface Area

20.265

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

0368-0072 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0368-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0368-0072?
Check Price and Availability of 0368-0072, 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 0368-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0368-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0368-0072
  • 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 0368-0072 available by request