K828-0281 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

K828-0281 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
K828-0281 Screening compound: 6-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0281
6-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

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

K828-0281

Molecular Formula

C22H29N3O6S (C22 H29 N3 O6 S)

Compound Name

6-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N-(3-methylbutyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CC(C)CCNC(C1=CNc(ccc(S(N(CC2)CCC22OCCO2)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C22H29N3O6S/c1-15(2)5-8-23-21(27)18-14-24-19-4-3-16(13-17(19)20(18)26)32(28,29)25-9-6-22(7-10-25)30-11-12-31-22/h3-4,13-15H,5-12H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

IFAWFCRDBNAKFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

0.529

Water Solubility, LogSw

-2.99

Polar Surface Area

95.032

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

K828-0281 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K828-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0281?
Check Price and Availability of K828-0281, 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 K828-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0281
  • 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 K828-0281 available by request