K623-0578 Screening compound: 4-fluoro-N~1~-[5-{[4-(4-fluorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

K623-0578 Screening compound: 4-fluoro-N~1~-[5-{[4-(4-fluorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide
K623-0578 Screening compound: 4-fluoro-N~1~-[5-{[4-(4-fluorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0578
4-fluoro-N~1~-[5-{[4-(4-fluorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]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

K623-0578

Molecular Formula

C35H33F2N5O3 (C35 H33 F2 N5 O3)

Compound Name

4-fluoro-N~1~-[5-{[4-(4-fluorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]benzamide

IUPAC name

4-fluoro-N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}benzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc(cc1)C(N(CC2)CCN2c(cc2)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C35H33F2N5O3/c36-27-7-4-24(5-8-27)34(44)38-30-19-25(35(45)40-16-14-39(15-17-40)29-11-9-28(37)10-12-29)6-13-32(30)41-20-23-18-26(22-41)31-2-1-3-33(43)42(31)21-23/h1-13,19,23,26H,14-18,20-22H2,(H,38,44)

InChI Key

HTXHJHQQCVYWRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.054

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.98

Polar Surface Area

61.391

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K623-0578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 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:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0578?
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What is the minimum amount of K623-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0578
  • 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 K623-0578 available by request