6415-1520 Screening compound: N~1~-(4-methylbenzyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

6415-1520 Screening compound: N~1~-(4-methylbenzyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide
6415-1520 Screening compound: N~1~-(4-methylbenzyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-1520
N~1~-(4-methylbenzyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]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

6415-1520

Molecular Formula

C21H18N2O2 (C21 H18 N2 O2)

Compound Name

N~1~-(4-methylbenzyl)-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

IUPAC name

N-[(4-methylphenyl)methyl]-2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}acetamide

SMILES

Cc1ccc(CNC(CN(c2c(c3ccc4)c4ccc2)C3=O)=O)cc1

InChI

InChI=1S/C21H18N2O2/c1-14-8-10-15(11-9-14)12-22-19(24)13-23-18-7-3-5-16-4-2-6-17(20(16)18)21(23)25/h2-11H,12-13H2,1H3,(H,22,24)

InChI Key

XKNPONBPQZNISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04319408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.99

Polar Surface Area

39.907

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6415-1520 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 6415-1520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-1520?
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What is the minimum amount of 6415-1520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-1520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-1520
  • 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 6415-1520 available by request