6423-2001 Screening compound: N~1~-cyclohexyl-2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzamide

6423-2001 Screening compound: N~1~-cyclohexyl-2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzamide
6423-2001 Screening compound: N~1~-cyclohexyl-2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6423-2001
N~1~-cyclohexyl-2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)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

6423-2001

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

N~1~-cyclohexyl-2-({2-[2-oxobenzo[cd]indol-1(2H)-yl]acetyl}amino)benzamide

IUPAC name

N-cyclohexyl-2-(2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}acetamido)benzamide

SMILES

O=C(CN(c1c(c2ccc3)c3ccc1)C2=O)Nc(cccc1)c1C(NC1CCCCC1)=O

InChI

InChI=1S/C26H25N3O3/c30-23(16-29-22-15-7-9-17-8-6-13-20(24(17)22)26(29)32)28-21-14-5-4-12-19(21)25(31)27-18-10-2-1-3-11-18/h4-9,12-15,18H,1-3,10-11,16H2,(H,27,31)(H,28,30)

InChI Key

RQZYJVRYPUXPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04360585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.78

Polar Surface Area

62.026

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

6423-2001 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6423-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6423-2001?
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What is the minimum amount of 6423-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6423-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6423-2001
  • 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 6423-2001 available by request