4554-3180 Screening compound: 2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]-2,3-dihydro-1H-indene-1,3-dione

4554-3180 Screening compound: 2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]-2,3-dihydro-1H-indene-1,3-dione
4554-3180 Screening compound: 2-[1-(2-hydroxyethyl)-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 4554-3180
2-[1-(2-hydroxyethyl)-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

4554-3180

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H17NO3/c1-11-9-13(10-12(2)19(11)7-8-20)16-17(21)14-5-3-4-6-15(14)18(16)22/h3-6,9-10,20H,7-8H2,1-2H3

InChI Key

KWQCZQODMCUELM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03041839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.74

Polar Surface Area

44.670

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4554-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-3180?
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What is the minimum amount of 4554-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-3180
  • 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 4554-3180 available by request