8016-8916 Screening compound: 4-methylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-4-oxobutanoate

8016-8916 Screening compound: 4-methylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-4-oxobutanoate
8016-8916 Screening compound: 4-methylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8916
4-methylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-4-oxobutanoate

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

8016-8916

Molecular Formula

C22H30ClNO5 (C22 H30 ClNO5)

Compound Name

4-methylcyclohexyl 4-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]amino}-4-oxobutanoate

IUPAC name

4-methylcyclohexyl 3-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}propanoate

SMILES

CCOC(CC(c(cccc1)c1Cl)NC(CCC(OC1CCC(C)CC1)=O)=O)=O

InChI

InChI=1S/C22H30ClNO5/c1-3-28-22(27)14-19(17-6-4-5-7-18(17)23)24-20(25)12-13-21(26)29-16-10-8-15(2)9-11-16/h4-7,15-16,19H,3,8-14H2,1-2H3,(H,24,25)/t15?,16?,19-/m0/s1

InChI Key

YJYIIJBMOKNSCU-RJYAGPCLSA-N

MDL Number (MFCD)

MFCD05860055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.62

Polar Surface Area

63.988

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

References: we are preparing a list of scientific research reports with 8016-8916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8916?
Check Price and Availability of 8016-8916, 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 8016-8916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8916
  • 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 8016-8916 available by request