K623-0604 Screening compound: N~4~-[5-{[(1-benzyl-4-piperidyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

Chemical Structure Depiction of ChemDiv screening compound K623-0604
N~4~-[5-{[(1-benzyl-4-piperidyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

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

K623-0604

Molecular Formula

C₃₆H₃₈N₆O₃ (C36 H38 N6 O3)

Compound Name

N~4~-[5-{[(1-benzyl-4-piperidyl)amino]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]isonicotinamide

IUPAC name

N-{5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl}pyridine-4-carboxamide

SMILES

O=C(c(cc1)cc(NC(c2ccncc2)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C36H38N6O3/c43-34-8-4-7-32-29-19-26(23-42(32)34)22-41(24-29)33-10-9-28(20-31(33)39-35(44)27-11-15-37-16-12-27)36(45)38-30-13-17-40(18-14-30)21-25-5-2-1-3-6-25/h1-12,15-16,20,26,29-30H,13-14,17-19,21-24H2,(H,38,45)(H,39,44)

InChI Key

YCZLGTKDVNXXSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.12

Polar Surface Area

78.590

Acid Dissociation Constant (pK_a)

6.99

Base Dissociation Constant (pK_b)

8.83

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

33.30

K623-0604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 K623-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0604?
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What is the minimum amount of K623-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K623-0604
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K623-0604

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 K623-0604 available by request