K623-0106 Screening compound: N~2~-[5-{[4-(2-chlorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

K623-0106 Screening compound: N~2~-[5-{[4-(2-chlorophenyl)piperazino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide
K623-0106 Screening compound: N~2~-[5-{[4-(2-chlorophenyl)piperazino]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 K623-0106
N~2~-[5-{[4-(2-chlorophenyl)piperazino]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

K623-0106

Molecular Formula

C33H32ClN5O3S (C33 H32 ClN5 O3 S)

Compound Name

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

SMILES

O=C(c1cccs1)Nc(cc(cc1)C(N(CC2)CCN2c(cccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C33H32ClN5O3S/c34-25-5-1-2-6-28(25)36-12-14-37(15-13-36)33(42)23-10-11-29(26(18-23)35-32(41)30-8-4-16-43-30)38-19-22-17-24(21-38)27-7-3-9-31(40)39(27)20-22/h1-11,16,18,22,24H,12-15,17,19-21H2,(H,35,41)

InChI Key

WNTRAOPTCVKJKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.17

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

5.462

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.97

Polar Surface Area

62.108

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.30

K623-0106 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K623-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0106?
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What is the minimum amount of K623-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0106
  • 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 K623-0106 available by request