8006-4299 Screening compound: (2Z,7Z)-2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one

8006-4299 Screening compound: (2Z,7Z)-2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one
8006-4299 Screening compound: (2Z,7Z)-2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4299
(2Z,7Z)-2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one

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

8006-4299

Molecular Formula

C29H36O3 (C29 H36 O3)

Compound Name

(2Z,7Z)-2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one

IUPAC name

(2Z7Z)-27-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one

SMILES

CCCCOc1ccc(/C=C(/CCCC/C2=C/c(cc3)ccc3OCCCC)\C2=O)cc1

InChI

InChI=1S/C29H36O3/c1-3-5-19-31-27-15-11-23(12-16-27)21-25-9-7-8-10-26(29(25)30)22-24-13-17-28(18-14-24)32-20-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3

InChI Key

DXHBHRMCGDUROF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.189

Distribution Coefficient, logD

8.189

Water Solubility, LogSw

-5.77

Polar Surface Area

28.200

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

8006-4299 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-4299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4299?
Check Price and Availability of 8006-4299, 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 8006-4299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4299
  • 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 8006-4299 available by request