C066-3679 Screening compound: (2E)-3-(4-fluorophenyl)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}prop-2-enamide

C066-3679 Screening compound: (2E)-3-(4-fluorophenyl)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}prop-2-enamide
C066-3679 Screening compound: (2E)-3-(4-fluorophenyl)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3679
(2E)-3-(4-fluorophenyl)-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}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

C066-3679

Molecular Formula

C29H26FN3O2 (C29 H26 FN3 O2)

Compound Name

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

IUPAC name

(2E)-3-(4-fluorophenyl)-N-{9-[(2-methoxyphenyl)amino]-5678-tetrahydroacridin-2-yl}prop-2-enamide

SMILES

COc(cccc1)c1Nc1c(cc(cc2)NC(/C=C/c(cc3)ccc3F)=O)c2nc2c1CCCC2

InChI

InChI=1S/C29H26FN3O2/c1-35-27-9-5-4-8-26(27)33-29-22-6-2-3-7-24(22)32-25-16-15-21(18-23(25)29)31-28(34)17-12-19-10-13-20(30)14-11-19/h4-5,8-18H,2-3,6-7H2,1H3,(H,31,34)(H,32,33)

InChI Key

GWLOJCQGXNQMFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715775

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.825

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.76

Polar Surface Area

47.318

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

C066-3679 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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 C066-3679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3679?
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What is the minimum amount of C066-3679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3679
  • 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 C066-3679 available by request