K623-0168 Screening compound: N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

K623-0168 Screening compound: N~1~-[5-[(4-acetylpiperazino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide
K623-0168 Screening compound: N~1~-[5-[(4-acetylpiperazino)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 K623-0168
N~1~-[5-[(4-acetylpiperazino)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

K623-0168

Molecular Formula

C34H39N5O7 (C34 H39 N5 O7)

Compound Name

N~1~-[5-[(4-acetylpiperazino)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-acetylpiperazine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]-345-trimethoxybenzamide

SMILES

CC(N(CC1)CCN1C(c(cc1)cc(NC(c(cc2OC)cc(OC)c2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=O

InChI

InChI=1S/C34H39N5O7/c1-21(40)36-10-12-37(13-11-36)34(43)23-8-9-28(38-18-22-14-25(20-38)27-6-5-7-31(41)39(27)19-22)26(15-23)35-33(42)24-16-29(44-2)32(46-4)30(17-24)45-3/h5-9,15-17,22,25H,10-14,18-20H2,1-4H3,(H,35,42)

InChI Key

UENXEMKQPDTIQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.28

Polar Surface Area

98.304

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

K623-0168 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 K623-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0168?
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What is the minimum amount of K623-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0168
  • 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 K623-0168 available by request