2040-0825 Screening compound: 3-(azepan-1-yl)-3-hydroxy-5-nitro-2,3-dihydro-1H-indol-2-one

2040-0825 Screening compound: 3-(azepan-1-yl)-3-hydroxy-5-nitro-2,3-dihydro-1H-indol-2-one
2040-0825 Screening compound: 3-(azepan-1-yl)-3-hydroxy-5-nitro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2040-0825
3-(azepan-1-yl)-3-hydroxy-5-nitro-2,3-dihydro-1H-indol-2-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

2040-0825

Molecular Formula

C14H17N3O4 (C14 H17 N3 O4)

Compound Name

3-(azepan-1-yl)-3-hydroxy-5-nitro-2,3-dihydro-1H-indol-2-one

IUPAC name

3-(azepan-1-yl)-3-hydroxy-5-nitro-23-dihydro-1H-indol-2-one

SMILES

[O-][N+](c(cc1)cc(C2(N3CCCCCC3)O)c1NC2=O)=O

InChI

InChI=1S/C14H17N3O4/c18-13-14(19,16-7-3-1-2-4-8-16)11-9-10(17(20)21)5-6-12(11)15-13/h5-6,9,19H,1-4,7-8H2,(H,15,18)/t14-/m0/s1

InChI Key

IJKZPJDBFDPZMA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01470430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-3.09

Polar Surface Area

78.190

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

2040-0825 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2040-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2040-0825?
Check Price and Availability of 2040-0825, 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 2040-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2040-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2040-0825
  • 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 2040-0825 available by request