K781-2553 Screening compound: 8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

K781-2553 Screening compound: 8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-1,4-dioxa-8-azaspiro[4.5]decane
K781-2553 Screening compound: 8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2553
8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

K781-2553

Molecular Formula

C20H19ClN2O7S (C20 H19 ClN2 O7 S)

Compound Name

8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)CCC22OCCO2)=O)c1S(c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C20H19ClN2O7S/c21-15-3-1-2-4-17(15)31(27,28)18-6-5-14(13-16(18)23(25)26)19(24)22-9-7-20(8-10-22)29-11-12-30-20/h1-6,13H,7-12H2

InChI Key

NRAOOBHXYQLDNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.9

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-3.00

Polar Surface Area

93.905

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-2553 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2553?
Check Price and Availability of K781-2553, 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 K781-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2553
  • 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 K781-2553 available by request