K623-0568 Screening compound: N~2~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

K623-0568 Screening compound: N~2~-[5-[(3,5-dimethylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide
K623-0568 Screening compound: N~2~-[5-[(3,5-dimethylpiperidino)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 K623-0568
N~2~-[5-[(3,5-dimethylpiperidino)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

K623-0568

Molecular Formula

C30H34N4O3S (C30 H34 N4 O3 S)

Compound Name

N~2~-[5-[(3,5-dimethylpiperidino)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-(35-dimethylpiperidine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]thiophene-2-carboxamide

SMILES

CC(CC(C)C1)CN1C(c(cc1)cc(NC(c2cccs2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C30H34N4O3S/c1-19-11-20(2)15-33(14-19)30(37)22-8-9-26(24(13-22)31-29(36)27-6-4-10-38-27)32-16-21-12-23(18-32)25-5-3-7-28(35)34(25)17-21/h3-10,13,19-21,23H,11-12,14-18H2,1-2H3,(H,31,36)

InChI Key

HRVISMIZJSQRQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.69

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

5.033

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-4.68

Polar Surface Area

59.016

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.30

K623-0568 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)

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 K623-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0568?
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What is the minimum amount of K623-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0568
  • 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 K623-0568 available by request