4554-3178 Screening compound: 2-(1-benzyl-2,6-dimethyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione

4554-3178 Screening compound: 2-(1-benzyl-2,6-dimethyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione
4554-3178 Screening compound: 2-(1-benzyl-2,6-dimethyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-3178
2-(1-benzyl-2,6-dimethyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione

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

4554-3178

Molecular Formula

C23H19NO2 (C23 H19 NO2)

Compound Name

2-(1-benzyl-2,6-dimethyl-1,4-dihydropyridin-4-ylidene)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-(1-benzyl-26-dimethyl-14-dihydropyridin-4-ylidene)-23-dihydro-1H-indene-13-dione

SMILES

CC(N(Cc1ccccc1)C(C)=C1)=CC1=C(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C23H19NO2/c1-15-12-18(13-16(2)24(15)14-17-8-4-3-5-9-17)21-22(25)19-10-6-7-11-20(19)23(21)26/h3-13H,14H2,1-2H3

InChI Key

CYHVVHAUOXBPBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03041836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.61

Polar Surface Area

27.765

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4554-3178 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 4554-3178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-3178?
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What is the minimum amount of 4554-3178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-3178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-3178
  • 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 4554-3178 available by request