1310-0245 Screening compound: (2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

1310-0245 Screening compound: (2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one
1310-0245 Screening compound: (2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1310-0245
(2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1,2,3,4-tetrahydronaphthalen-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

1310-0245

Molecular Formula

C23H17NO3 (C23 H17 NO3)

Compound Name

(2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

(2E)-2-[(4-nitrophenyl)methylidene]-4-phenyl-1234-tetrahydronaphthalen-1-one

SMILES

[O-][N+](c1ccc(/C=C(\CC(c2ccccc2)c2c3cccc2)/C3=O)cc1)=O

InChI

InChI=1S/C23H17NO3/c25-23-18(14-16-10-12-19(13-11-16)24(26)27)15-22(17-6-2-1-3-7-17)20-8-4-5-9-21(20)23/h1-14,22H,15H2/t22-/m1/s1

InChI Key

GPGOYHAWXIGRKH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00489720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.85

Polar Surface Area

46.144

Acid Dissociation Constant (pKa)

20.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

1310-0245 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1310-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1310-0245?
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What is the minimum amount of 1310-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1310-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1310-0245
  • 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 1310-0245 available by request