2514-2862 Screening compound: (2E,6E)-2,6-bis({[5-(4-fluorophenyl)furan-2-yl]methylidene})cyclohexan-1-one

2514-2862 Screening compound: (2E,6E)-2,6-bis({[5-(4-fluorophenyl)furan-2-yl]methylidene})cyclohexan-1-one
2514-2862 Screening compound: (2E,6E)-2,6-bis({[5-(4-fluorophenyl)furan-2-yl]methylidene})cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2514-2862
(2E,6E)-2,6-bis({[5-(4-fluorophenyl)furan-2-yl]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

2514-2862

Molecular Formula

C28H20F2O3 (C28 H20 F2 O3)

Compound Name

(2E,6E)-2,6-bis({[5-(4-fluorophenyl)furan-2-yl]methylidene})cyclohexan-1-one

IUPAC name

(2E6E)-26-bis({[5-(4-fluorophenyl)furan-2-yl]methylidene})cyclohexan-1-one

SMILES

O=C(/C(/CCC1)=C/c2ccc(-c(cc3)ccc3F)o2)/C1=C/c1ccc(-c(cc2)ccc2F)o1

InChI

InChI=1S/C28H20F2O3/c29-22-8-4-18(5-9-22)26-14-12-24(32-26)16-20-2-1-3-21(28(20)31)17-25-13-15-27(33-25)19-6-10-23(30)11-7-19/h4-17H,1-3H2

InChI Key

RBJJAWPBKHYHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.782

Distribution Coefficient, logD

7.782

Water Solubility, LogSw

-6.27

Polar Surface Area

28.174

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

2514-2862 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2514-2862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2514-2862?
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What is the minimum amount of 2514-2862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2514-2862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2514-2862
  • 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 2514-2862 available by request