K938-0006 Screening compound: 4-bromo-N-(1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide

K938-0006 Screening compound: 4-bromo-N-(1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide
K938-0006 Screening compound: 4-bromo-N-(1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K938-0006
4-bromo-N-(1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-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

K938-0006

Molecular Formula

C22H25BrN2O5S (C22 H25 BrN2 O5 S)

Compound Name

4-bromo-N-(1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide

IUPAC name

4-bromo-N-(1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide

SMILES

O=C(C(Cc1ccccc1)NS(c(cc1)ccc1Br)(=O)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H25BrN2O5S/c23-18-6-8-19(9-7-18)31(27,28)24-20(16-17-4-2-1-3-5-17)21(26)25-12-10-22(11-13-25)29-14-15-30-22/h1-9,20,24H,10-16H2/t20-/m0/s1

InChI Key

BNPZENRSTGAEER-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03020687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.51

Polar Surface Area

72.926

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

K938-0006 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K938-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K938-0006?
Check Price and Availability of K938-0006, 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 K938-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K938-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K938-0006
  • 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 K938-0006 available by request