K623-0227 Screening compound: N~2~-[5-{[(6-methyl-2-pyridyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

K623-0227 Screening compound: N~2~-[5-{[(6-methyl-2-pyridyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide
K623-0227 Screening compound: N~2~-[5-{[(6-methyl-2-pyridyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0227
N~2~-[5-{[(6-methyl-2-pyridyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

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

K623-0227

Molecular Formula

C29H27N5O3S (C29 H27 N5 O3 S)

Compound Name

N~2~-[5-{[(6-methyl-2-pyridyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

IUPAC name

N-{5-[(6-methylpyridin-2-yl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}thiophene-2-carboxamide

SMILES

Cc1cccc(NC(c(cc2)cc(NC(c3cccs3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)n1

InChI

InChI=1S/C29H27N5O3S/c1-18-5-2-8-26(30-18)32-28(36)20-10-11-24(22(14-20)31-29(37)25-7-4-12-38-25)33-15-19-13-21(17-33)23-6-3-9-27(35)34(23)16-19/h2-12,14,19,21H,13,15-17H2,1H3,(H,31,37)(H,30,32,36)

InChI Key

NVDPEBSJUATKRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-4.70

Polar Surface Area

74.581

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

K623-0227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0227?
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What is the minimum amount of K623-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0227
  • 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 K623-0227 available by request