8014-5360 Screening compound: 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]-2-methoxyphenyl benzoate

8014-5360 Screening compound: 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]-2-methoxyphenyl benzoate
8014-5360 Screening compound: 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]-2-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5360
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]-2-methoxyphenyl benzoate

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

8014-5360

Molecular Formula

C24H16O5 (C24 H16 O5)

Compound Name

4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)methyl]-2-methoxyphenyl benzoate

IUPAC name

4-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenyl benzoate

SMILES

COc(cc(C=C(C(c1c2cccc1)=O)C2=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C24H16O5/c1-28-21-14-15(11-12-20(21)29-24(27)16-7-3-2-4-8-16)13-19-22(25)17-9-5-6-10-18(17)23(19)26/h2-14H,1H3

InChI Key

NENDHGXXZFIEJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02352924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.67

Polar Surface Area

54.641

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8014-5360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-5360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5360?
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What is the minimum amount of 8014-5360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5360
  • 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 8014-5360 available by request