0368-0006 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate

0368-0006 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate
0368-0006 Screening compound: 5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0368-0006
5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate

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

0368-0006

Molecular Formula

C17H22ClNO4 (C17 H22 ClNO4)

Compound Name

5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate

IUPAC name

5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate

SMILES

CC(C)C(CCC(C)C1)C1OC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C17H22ClNO4/c1-10(2)13-6-4-11(3)8-16(13)23-17(20)12-5-7-14(18)15(9-12)19(21)22/h5,7,9-11,13,16H,4,6,8H2,1-3H3

InChI Key

QJJWEQVYFXSALB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-6.02

Polar Surface Area

53.346

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with 0368-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0368-0006?
Check Price and Availability of 0368-0006, 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 0368-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0368-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0368-0006
  • 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 0368-0006 available by request