8001-1544 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-1,4-dihydroquinolin-4-ylidene]propanenitrile

8001-1544 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-1,4-dihydroquinolin-4-ylidene]propanenitrile
8001-1544 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-1,4-dihydroquinolin-4-ylidene]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1544
2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-1,4-dihydroquinolin-4-ylidene]propanenitrile

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

8001-1544

Molecular Formula

C30H30N2O2 (C30 H30 N2 O2)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-1,4-dihydroquinolin-4-ylidene]propanenitrile

IUPAC name

2-(13-dioxo-23-dihydro-1H-inden-2-ylidene)-3-[(4Z)-1-nonyl-14-dihydroquinolin-4-ylidene]propanenitrile

SMILES

CCCCCCCCCN(C=C1)c(cccc2)c2/C1=C\C(C#N)=C(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C30H30N2O2/c1-2-3-4-5-6-7-12-18-32-19-17-22(24-13-10-11-16-27(24)32)20-23(21-31)28-29(33)25-14-8-9-15-26(25)30(28)34/h8-11,13-17,19-20H,2-7,12,18H2,1H3

InChI Key

KUHKRMPCHBTMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.247

Distribution Coefficient, logD

7.247

Water Solubility, LogSw

-5.80

Polar Surface Area

45.511

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8001-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1544?
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What is the minimum amount of 8001-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1544
  • 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 8001-1544 available by request