K828-0191 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

K828-0191 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide
K828-0191 Screening compound: 3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0191
3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

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

K828-0191

Molecular Formula

C26H29N3O6S (C26 H29 N3 O6 S)

Compound Name

3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-N-ethyl-N-(3-methylphenyl)-4-oxo-14-dihydroquinoline-6-sulfonamide

SMILES

CCN(c1cc(C)ccc1)S(c(cc1)cc2c1NC=C(C(N(CC1)CCC11OCCO1)=O)C2=O)(=O)=O

InChI

InChI=1S/C26H29N3O6S/c1-3-29(19-6-4-5-18(2)15-19)36(32,33)20-7-8-23-21(16-20)24(30)22(17-27-23)25(31)28-11-9-26(10-12-28)34-13-14-35-26/h4-8,15-17H,3,9-14H2,1-2H3,(H,27,30)

InChI Key

VNKMVCBQBWCOQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-3.37

Polar Surface Area

86.993

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K828-0191 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K828-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0191?
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What is the minimum amount of K828-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0191
  • 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 K828-0191 available by request