K623-0226 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(6-methyl-2-pyridyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K623-0226 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(6-methyl-2-pyridyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K623-0226 Screening compound: 3-[(4-fluorobenzoyl)amino]-N~1~-(6-methyl-2-pyridyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0226
3-[(4-fluorobenzoyl)amino]-N~1~-(6-methyl-2-pyridyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K623-0226

Molecular Formula

C31H28FN5O3 (C31 H28 FN5 O3)

Compound Name

3-[(4-fluorobenzoyl)amino]-N~1~-(6-methyl-2-pyridyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-(4-fluorobenzamido)-N-(6-methylpyridin-2-yl)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

Cc1cccc(NC(c(cc2)cc(NC(c(cc3)ccc3F)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)n1

InChI

InChI=1S/C31H28FN5O3/c1-19-4-2-6-28(33-19)35-31(40)22-10-13-27(25(15-22)34-30(39)21-8-11-24(32)12-9-21)36-16-20-14-23(18-36)26-5-3-7-29(38)37(26)17-20/h2-13,15,20,23H,14,16-18H2,1H3,(H,34,39)(H,33,35,40)

InChI Key

XYUIYAMKLJSGSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.59

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

5.130

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-5.08

Polar Surface Area

73.563

Acid Dissociation Constant (pKa)

6.13

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

K623-0226 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0226?
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What is the minimum amount of K623-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0226
  • 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 K623-0226 available by request