K623-0102 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]-3,4,5-trimethoxybenzamide

K623-0102 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]-3,4,5-trimethoxybenzamide
K623-0102 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]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0102
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]-3,4,5-trimethoxybenzamide

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

K623-0102

Molecular Formula

C38H40ClN5O6 (C38 H40 ClN5 O6)

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]-3,4,5-trimethoxybenzamide

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}-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(N(CC3)CCN3c(cccc3)c3Cl)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C38H40ClN5O6/c1-48-33-19-26(20-34(49-2)36(33)50-3)37(46)40-29-18-25(38(47)42-15-13-41(14-16-42)31-8-5-4-7-28(31)39)11-12-32(29)43-21-24-17-27(23-43)30-9-6-10-35(45)44(30)22-24/h4-12,18-20,24,27H,13-17,21-23H2,1-3H3,(H,40,46)

InChI Key

MVSCPKATJDQYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

698.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.93

Polar Surface Area

84.068

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.20

K623-0102 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 K623-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0102?
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What is the minimum amount of K623-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0102
  • 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 K623-0102 available by request