K917-0627 Screening compound: N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide

K917-0627 Screening compound: N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
K917-0627 Screening compound: N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K917-0627
N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]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

K917-0627

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-benzyl-N-methyl-6-{methyl[4-(propan-2-yl)phenyl]sulfamoyl}-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CC(C)c(cc1)ccc1N(C)S(c(cc1)cc2c1NC=C(C(N(C)Cc1ccccc1)=O)C2=O)(=O)=O

InChI

InChI=1S/C28H29N3O4S/c1-19(2)21-10-12-22(13-11-21)31(4)36(34,35)23-14-15-26-24(16-23)27(32)25(17-29-26)28(33)30(3)18-20-8-6-5-7-9-20/h5-17,19H,18H2,1-4H3,(H,29,32)

InChI Key

WMPPQABJNAHWKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-5.05

Polar Surface Area

73.329

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K917-0627 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K917-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K917-0627?
Check Price and Availability of K917-0627, 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 K917-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K917-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K917-0627
  • 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 K917-0627 available by request