3807-4403 Screening compound: (2E)-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

3807-4403 Screening compound: (2E)-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
3807-4403 Screening compound: (2E)-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4403
(2E)-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-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

3807-4403

Molecular Formula

C23H25NO3 (C23 H25 NO3)

Compound Name

(2E)-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(6-methoxy-224-trimethyl-12-dihydroquinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

SMILES

CC1(C)N(C(/C=C/c(cc2)ccc2OC)=O)c(ccc(OC)c2)c2C(C)=C1

InChI

InChI=1S/C23H25NO3/c1-16-15-23(2,3)24(21-12-11-19(27-5)14-20(16)21)22(25)13-8-17-6-9-18(26-4)10-7-17/h6-15H,1-5H3

InChI Key

CEBFWURDCICIOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.86

Polar Surface Area

28.884

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

3807-4403 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3807-4403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4403?
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What is the minimum amount of 3807-4403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4403
  • 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 3807-4403 available by request