K623-0499 Screening compound: N~1~-[5-[(4-benzylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,5-dimethoxybenzamide

Chemical Structure Depiction of ChemDiv screening compound K623-0499
N~1~-[5-[(4-benzylpiperidino)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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K623-0499

Molecular Formula

C₃₉H₄₂N₄O₅ (C39 H42 N4 O5)

Compound Name

N~1~-[5-[(4-benzylpiperidino)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-benzylpiperidine-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(N3CCC(Cc4ccccc4)CC3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1

InChI

InChI=1S/C39H42N4O5/c1-47-32-19-30(20-33(22-32)48-2)38(45)40-34-21-29(39(46)41-15-13-27(14-16-41)17-26-7-4-3-5-8-26)11-12-36(34)42-23-28-18-31(25-42)35-9-6-10-37(44)43(35)24-28/h3-12,19-22,27-28,31H,13-18,23-25H2,1-2H3,(H,40,45)

InChI Key

JDVAOATYFNDGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

6.476

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-5.65

Polar Surface Area

72.947

Acid Dissociation Constant (pK_a)

9.65

Base Dissociation Constant (pK_b)

-0.11

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

35.90

K623-0499 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K623-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0499?
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What is the minimum amount of K623-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K623-0499
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K623-0499

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 K623-0499 available by request