6028-3922 Screening compound: 1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]BENZO[CD]INDOL-2(1H)-ONE

6028-3922 Screening compound: 1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]BENZO[CD]INDOL-2(1H)-ONE
6028-3922 Screening compound: 1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]BENZO[CD]INDOL-2(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-3922
1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]BENZO[CD]INDOL-2(1H)-ONE

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

6028-3922

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

1-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]BENZO[CD]INDOL-2(1H)-ONE

IUPAC name

n/a

SMILES

O=C(CN(c1c(c2ccc3)c3ccc1)C2=O)N1CCCC1

InChI

InChI=1S/C17H16N2O2/c20-15(18-9-1-2-10-18)11-19-14-8-4-6-12-5-3-7-13(16(12)14)17(19)21/h3-8H,1-2,9-11H2

InChI Key

NJJQQUBWZQEBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03998774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-3.13

Polar Surface Area

32.194

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

6028-3922 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 6028-3922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-3922?
Check Price and Availability of 6028-3922, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6028-3922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-3922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-3922
  • 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 6028-3922 available by request