K622-0015 Screening compound: N~1~-(3-acetylphenyl)-3-({[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

Chemical Structure Depiction of ChemDiv screening compound K622-0015
N~1~-(3-acetylphenyl)-3-({[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K622-0015

Molecular Formula

C₃₆H₄₀N₄O₆S (C36 H40 N4 O6 S)

Compound Name

N~1~-(3-acetylphenyl)-3-({[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-(3-acetylphenyl)-3-({77-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CC(C)(C(CC1)C2)C1(CS(Nc(cc(cc1)C(Nc3cc(C(C)=O)ccc3)=O)c1N(CC(C1)CN34)CC1C4=CC=CC3=O)(=O)=O)C2=O

InChI

InChI=1S/C36H40N4O6S/c1-22(41)24-6-4-7-28(15-24)37-34(44)25-10-11-31(39-18-23-14-26(20-39)30-8-5-9-33(43)40(30)19-23)29(16-25)38-47(45,46)21-36-13-12-27(17-32(36)42)35(36,2)3/h4-11,15-16,23,26-27,38H,12-14,17-21H2,1-3H3,(H,37,44)

InChI Key

FIBGDZHQATYEAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-5.21

Polar Surface Area

111.678

Acid Dissociation Constant (pK_a)

4.34

Base Dissociation Constant (pK_b)

2.00

Number of Chiral Centers

4.00

Percent sp³ carbon bonding

44.40

K622-0015 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cardiovascular
Metabolic
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

GPCR
Phosphatases

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 K622-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K622-0015?
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What is the minimum amount of K622-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K622-0015
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K622-0015

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 K622-0015 available by request