K781-5068 Screening compound: 2,3-dihydro-1H-indol-1-yl[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-nitrophenyl]methanone

K781-5068 Screening compound: 2,3-dihydro-1H-indol-1-yl[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-nitrophenyl]methanone
K781-5068 Screening compound: 2,3-dihydro-1H-indol-1-yl[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-nitrophenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5068
2,3-dihydro-1H-indol-1-yl[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-nitrophenyl]methanone

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

K781-5068

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

2,3-dihydro-1H-indol-1-yl[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-nitrophenyl]methanone

IUPAC name

n/a

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)c3c2cccc3)=O)c1N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C22H23N3O5/c26-21(24-10-7-16-3-1-2-4-18(16)24)17-5-6-19(20(15-17)25(27)28)23-11-8-22(9-12-23)29-13-14-30-22/h1-6,15H,7-14H2

InChI Key

CLCNEPMNLXPBOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.807

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.41

Polar Surface Area

66.586

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with K781-5068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5068?
Check Price and Availability of K781-5068, 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 K781-5068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5068
  • 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 K781-5068 available by request