K623-0104 Screening compound: N~3~-[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]nicotinamide

Chemical Structure Depiction of ChemDiv screening compound K623-0104
N~3~-[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]nicotinamide

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

K623-0104

Molecular Formula

C₃₄H₃₃ClN₆O₃ (C34 H33 ClN6 O3)

Compound Name

N~3~-[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]nicotinamide

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}pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc(cc(cc1)C(N(CC2)CCN2c(cccc2)c2Cl)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C34H33ClN6O3/c35-27-6-1-2-7-30(27)38-13-15-39(16-14-38)34(44)24-10-11-31(28(18-24)37-33(43)25-5-4-12-36-19-25)40-20-23-17-26(22-40)29-8-3-9-32(42)41(29)21-23/h1-12,18-19,23,26H,13-17,20-22H2,(H,37,43)

InChI Key

MKNMPSHWKTWOML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.57

Polar Surface Area

70.608

Acid Dissociation Constant (pK_a)

8.09

Base Dissociation Constant (pK_b)

2.81

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

29.40

K623-0104 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 K623-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0104?
Check Price and Availability of K623-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K623-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K623-0104
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K623-0104

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 K623-0104 available by request