5171-3567 Screening compound: 2-[6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-1,6-bis[(prop-2-en-1-yl)amino]hexylidene]-5,5-dimethylcyclohexane-1,3-dione

5171-3567 Screening compound: 2-[6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-1,6-bis[(prop-2-en-1-yl)amino]hexylidene]-5,5-dimethylcyclohexane-1,3-dione
5171-3567 Screening compound: 2-[6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-1,6-bis[(prop-2-en-1-yl)amino]hexylidene]-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5171-3567
2-[6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-1,6-bis[(prop-2-en-1-yl)amino]hexylidene]-5,5-dimethylcyclohexane-1,3-dione

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

5171-3567

Molecular Formula

C28H40N2O4 (C28 H40 N2 O4)

Compound Name

2-[6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-1,6-bis[(prop-2-en-1-yl)amino]hexylidene]-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-[6-(44-dimethyl-26-dioxocyclohexylidene)-16-bis[(prop-2-en-1-yl)amino]hexylidene]-55-dimethylcyclohexane-13-dione

SMILES

CC(C)(CC(C1=C(CCCCC(NCC=C)=C(C(CC(C)(C)C2)=O)C2=O)NCC=C)=O)CC1=O

InChI

InChI=1S/C28H40N2O4/c1-7-13-29-19(25-21(31)15-27(3,4)16-22(25)32)11-9-10-12-20(30-14-8-2)26-23(33)17-28(5,6)18-24(26)34/h7-8,29-30H,1-2,9-18H2,3-6H3

InChI Key

VMGXTQASOJGTJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.37

Polar Surface Area

77.047

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 5171-3567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5171-3567?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5171-3567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5171-3567
  • 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 5171-3567 available by request