C066-3705 Screening compound: (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydro-2-acridinyl]-3-(2,3-dimethoxyphenyl)-2-propenamide

C066-3705 Screening compound: (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydro-2-acridinyl]-3-(2,3-dimethoxyphenyl)-2-propenamide
C066-3705 Screening compound: (E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydro-2-acridinyl]-3-(2,3-dimethoxyphenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3705
(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydro-2-acridinyl]-3-(2,3-dimethoxyphenyl)-2-propenamide

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

C066-3705

Molecular Formula

C32H33N3O5 (C32 H33 N3 O5)

Compound Name

(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydro-2-acridinyl]-3-(2,3-dimethoxyphenyl)-2-propenamide

IUPAC name

(2E)-3-(23-dimethoxyphenyl)-N-{9-[(34-dimethoxyphenyl)amino]-5678-tetrahydroacridin-2-yl}prop-2-enamide

SMILES

COc(ccc(Nc1c(cc(cc2)NC(/C=C/c(cccc3OC)c3OC)=O)c2nc2c1CCCC2)c1)c1OC

InChI

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

InChI Key

GDLCHXBEXYXYFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715793

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

5.892

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-5.55

Polar Surface Area

70.993

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-3705 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with C066-3705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3705?
Check Price and Availability of C066-3705, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C066-3705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3705
  • 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 C066-3705 available by request