C066-3717 Screening compound: 4-fluoro-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-nitrobenzamide

C066-3717 Screening compound: 4-fluoro-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-nitrobenzamide
C066-3717 Screening compound: 4-fluoro-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3717
4-fluoro-N-{9-[(2-methoxyphenyl)amino]-5,6,7,8-tetrahydroacridin-2-yl}-3-nitrobenzamide

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

C066-3717

Molecular Formula

C27H23FN4O4 (C27 H23 FN4 O4)

Compound Name

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

IUPAC name

4-fluoro-N-{9-[(2-methoxyphenyl)amino]-5678-tetrahydroacridin-2-yl}-3-nitrobenzamide

SMILES

COc(cccc1)c1Nc1c(cc(cc2)NC(c(cc3)cc([N+]([O-])=O)c3F)=O)c2nc2c1CCCC2

InChI

InChI=1S/C27H23FN4O4/c1-36-25-9-5-4-8-23(25)31-26-18-6-2-3-7-21(18)30-22-13-11-17(15-19(22)26)29-27(33)16-10-12-20(28)24(14-16)32(34)35/h4-5,8-15H,2-3,6-7H2,1H3,(H,29,33)(H,30,31)

InChI Key

GANNFNPMCXOJQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715800

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

486.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.019

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-5.56

Polar Surface Area

80.612

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C066-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3717?
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What is the minimum amount of C066-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3717
  • 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 C066-3717 available by request