1310-0298 Screening compound: (2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one

1310-0298 Screening compound: (2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
1310-0298 Screening compound: (2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1310-0298
(2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-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

1310-0298

Molecular Formula

C22H22O5 (C22 H22 O5)

Compound Name

(2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one

IUPAC name

(2E6E)-26-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one

SMILES

COc(cc(/C=C(\CCC/C1=C\c(cc2)cc(OC)c2O)/C1=O)cc1)c1O

InChI

InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3

InChI Key

DHKKONBXGAAFTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00019515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.18

Polar Surface Area

61.391

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

1310-0298 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1310-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1310-0298?
Check Price and Availability of 1310-0298, 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 1310-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1310-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1310-0298
  • 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 1310-0298 available by request