C066-3617 Screening compound: (2E)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C066-3617 Screening compound: (2E)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
C066-3617 Screening compound: (2E)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3617
(2E)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

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

C066-3617

Molecular Formula

C32H33N3O5 (C32 H33 N3 O5)

Compound Name

(2E)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-{9-[(2-methoxyphenyl)amino]-5678-tetrahydroacridin-2-yl}-3-(345-trimethoxyphenyl)prop-2-enamide

SMILES

COc(cccc1)c1Nc1c(cc(cc2)NC(/C=C/c(cc3OC)cc(OC)c3OC)=O)c2nc2c1CCCC2

InChI

InChI=1S/C32H33N3O5/c1-37-27-12-8-7-11-26(27)35-31-22-9-5-6-10-24(22)34-25-15-14-21(19-23(25)31)33-30(36)16-13-20-17-28(38-2)32(40-4)29(18-20)39-3/h7-8,11-19H,5-6,9-10H2,1-4H3,(H,33,36)(H,34,35)

InChI Key

MNXWLXBKOICXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715731

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

5.325

Water Solubility, LogSw

-5.55

Polar Surface Area

70.296

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-3617 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-3617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3617?
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What is the minimum amount of C066-3617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3617
  • 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 C066-3617 available by request