0611-0012 Screening compound: 5-chloropyridin-3-yl 4-(4-propylcyclohexyl)benzoate

0611-0012 Screening compound: 5-chloropyridin-3-yl 4-(4-propylcyclohexyl)benzoate
0611-0012 Screening compound: 5-chloropyridin-3-yl 4-(4-propylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0611-0012
5-chloropyridin-3-yl 4-(4-propylcyclohexyl)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

0611-0012

Molecular Formula

C21H24ClNO2 (C21 H24 ClNO2)

Compound Name

5-chloropyridin-3-yl 4-(4-propylcyclohexyl)benzoate

IUPAC name

5-chloropyridin-3-yl 4-(4-propylcyclohexyl)benzoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Oc1cc(Cl)cnc1)=O

InChI

InChI=1S/C21H24ClNO2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(24)25-20-12-19(22)13-23-14-20/h8-16H,2-7H2,1H3

InChI Key

CEQNUNHZAYJDFJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.734

Distribution Coefficient, logD

6.734

Water Solubility, LogSw

-6.50

Polar Surface Area

30.144

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 0611-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0611-0012?
Check Price and Availability of 0611-0012, 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 0611-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0611-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0611-0012
  • 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 0611-0012 available by request