K623-0567 Screening compound: N~1~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-4-fluorobenzamide

K623-0567 Screening compound: N~1~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-4-fluorobenzamide
K623-0567 Screening compound: N~1~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0567
N~1~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-4-fluorobenzamide

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

K623-0567

Molecular Formula

C32H35FN4O3 (C32 H35 FN4 O3)

Compound Name

N~1~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-4-fluorobenzamide

IUPAC name

N-[5-(35-dimethylpiperidine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]-4-fluorobenzamide

SMILES

CC(CC(C)C1)CN1C(c(cc1)cc(NC(c(cc2)ccc2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H35FN4O3/c1-20-12-21(2)16-36(15-20)32(40)24-8-11-29(27(14-24)34-31(39)23-6-9-26(33)10-7-23)35-17-22-13-25(19-35)28-4-3-5-30(38)37(28)18-22/h3-11,14,20-22,25H,12-13,15-19H2,1-2H3,(H,34,39)

InChI Key

JKGVXBCMRXMCMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

4.892

Water Solubility, LogSw

-5.09

Polar Surface Area

57.997

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.60

K623-0567 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 K623-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0567?
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What is the minimum amount of K623-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0567
  • 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 K623-0567 available by request