K692-0077 Screening compound: N~3~-butyl-6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

K692-0077 Screening compound: N~3~-butyl-6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide
K692-0077 Screening compound: N~3~-butyl-6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K692-0077
N~3~-butyl-6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

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

K692-0077

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

N~3~-butyl-6-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

IUPAC name

n/a

SMILES

CCCCNC(C1=CNc(ccc(S(N(CC2)Cc3c2cccc3)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-2-3-11-24-23(28)20-14-25-21-9-8-18(13-19(21)22(20)27)31(29,30)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,13-14H,2-3,10-12,15H2,1H3,(H,24,28)(H,25,27)

InChI Key

MVZOHTYNSFXJDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-3.81

Polar Surface Area

80.257

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with K692-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K692-0077?
Check Price and Availability of K692-0077, 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 K692-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K692-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K692-0077
  • 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 K692-0077 available by request