8009-8515 Screening compound: 1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate

8009-8515 Screening compound: 1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate
8009-8515 Screening compound: 1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8515
1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate

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

8009-8515

Molecular Formula

C26H23NO5 (C26 H23 NO5)

Compound Name

1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate

IUPAC name

1-[(2E)-3-(furan-2-yl)prop-2-enoyl]-224-trimethyl-12-dihydroquinolin-6-yl (2E)-3-(furan-2-yl)prop-2-enoate

SMILES

CC1(C)N(C(/C=C/c2ccco2)=O)c(ccc(OC(/C=C/c2ccco2)=O)c2)c2C(C)=C1

InChI

InChI=1S/C26H23NO5/c1-18-17-26(2,3)27(24(28)12-9-19-6-4-14-30-19)23-11-8-21(16-22(18)23)32-25(29)13-10-20-7-5-15-31-20/h4-17H,1-3H3

InChI Key

IDYDTONCIAPYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01561366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-4.75

Polar Surface Area

49.077

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8009-8515 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-8515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8515?
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What is the minimum amount of 8009-8515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8515
  • 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 8009-8515 available by request