K788-4701 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

K788-4701 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
K788-4701 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4701
N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-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

K788-4701

Molecular Formula

C26H27N3O6S (C26 H27 N3 O6 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

O=C(C1=CNc(ccc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c2)c2C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C26H27N3O6S/c30-25-20-15-19(36(32,33)29-18-6-9-23-24(14-18)35-13-12-34-23)7-8-22(20)28-16-21(25)26(31)27-11-10-17-4-2-1-3-5-17/h4,6-9,14-16,29H,1-3,5,10-13H2,(H,27,31)(H,28,30)

InChI Key

RQUOZEGOQMFNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

1.344

Water Solubility, LogSw

-2.97

Polar Surface Area

105.278

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K788-4701 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K788-4701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4701?
Check Price and Availability of K788-4701, 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 K788-4701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4701
  • 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 K788-4701 available by request