C066-3661 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(trifluoromethyl)benzamide

C066-3661 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(trifluoromethyl)benzamide
C066-3661 Screening compound: N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3661
N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-(trifluoromethyl)benzamide

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

C066-3661

Molecular Formula

C28H24F3N3O2 (C28 H24 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1Nc1c(cc(cc2)NC(c3cccc(C(F)(F)F)c3)=O)c2nc2c1CCCC2

InChI

InChI=1S/C28H24F3N3O2/c1-36-25-12-5-4-11-24(25)34-26-20-9-2-3-10-22(20)33-23-14-13-19(16-21(23)26)32-27(35)17-7-6-8-18(15-17)28(29,30)31/h4-8,11-16H,2-3,9-10H2,1H3,(H,32,35)(H,33,34)

InChI Key

BPROIDSBCCFSJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715761

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

491.51

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

6.923

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-5.91

Polar Surface Area

47.531

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C066-3661 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C066-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3661?
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What is the minimum amount of C066-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3661
  • 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 C066-3661 available by request