K623-0103 Screening compound: N~1~-[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]-3,5-dimethoxybenzamide

K623-0103 Screening compound: N~1~-[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]-3,5-dimethoxybenzamide
K623-0103 Screening compound: N~1~-[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]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0103
N~1~-[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]-3,5-dimethoxybenzamide

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

K623-0103

Molecular Formula

C37H38ClN5O5 (C37 H38 ClN5 O5)

Compound Name

N~1~-[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]-3,5-dimethoxybenzamide

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}-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(N(CC3)CCN3c(cccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1

InChI

InChI=1S/C37H38ClN5O5/c1-47-28-17-26(18-29(20-28)48-2)36(45)39-31-19-25(37(46)41-14-12-40(13-15-41)33-7-4-3-6-30(33)38)10-11-34(31)42-21-24-16-27(23-42)32-8-5-9-35(44)43(32)22-24/h3-11,17-20,24,27H,12-16,21-23H2,1-2H3,(H,39,45)

InChI Key

VEJZHVJJDMHOKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

668.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.98

Polar Surface Area

76.178

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

K623-0103 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
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 K623-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0103?
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What is the minimum amount of K623-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0103
  • 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 K623-0103 available by request