K623-0582 Screening compound: N~4~-[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]isonicotinamide

K623-0582 Screening compound: N~4~-[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]isonicotinamide
K623-0582 Screening compound: N~4~-[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]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0582
N~4~-[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]isonicotinamide

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

K623-0582

Molecular Formula

C34H33FN6O3 (C34 H33 FN6 O3)

Compound Name

N~4~-[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]isonicotinamide

IUPAC name

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

SMILES

O=C(c1ccncc1)Nc(cc(cc1)C(N(CC2)CCN2c(cc2)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C34H33FN6O3/c35-27-5-7-28(8-6-27)38-14-16-39(17-15-38)34(44)25-4-9-31(29(19-25)37-33(43)24-10-12-36-13-11-24)40-20-23-18-26(22-40)30-2-1-3-32(42)41(30)21-23/h1-13,19,23,26H,14-18,20-22H2,(H,37,43)

InChI Key

QXWCULQTXIZAHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-4.04

Polar Surface Area

70.819

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

K623-0582 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0582?
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What is the minimum amount of K623-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0582
  • 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 K623-0582 available by request