C066-3766 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide

C066-3766 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide
C066-3766 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3766
N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide

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

C066-3766

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide

IUPAC name

N-{9-[(2-methoxyphenyl)amino]-5678-tetrahydroacridin-2-yl}-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(Nc(ccc2nc3c4CCCC3)cc2c4Nc(cccc2)c2OC)=O)c1

InChI

InChI=1S/C29H29N3O3/c1-19-8-7-9-21(16-19)35-18-28(33)30-20-14-15-25-23(17-20)29(22-10-3-4-11-24(22)31-25)32-26-12-5-6-13-27(26)34-2/h5-9,12-17H,3-4,10-11,18H2,1-2H3,(H,30,33)(H,31,32)

InChI Key

SBPGPRJLXHTUKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.645

Distribution Coefficient, logD

5.630

Water Solubility, LogSw

-5.67

Polar Surface Area

54.817

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C066-3766 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-3766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3766?
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What is the minimum amount of C066-3766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3766
  • 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 C066-3766 available by request