K622-0279 Screening compound: 3-({[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N~1~-(4-ethoxyphenyl)-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 K622-0279
3-({[(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-N~1~-(4-ethoxyphenyl)-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

K622-0279

Molecular Formula

C₃₆H₄₂N₄O₆S (C36 H42 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(c(cc1)cc(NS(CC(CC2)(C(C)(C)C2C2)C2=O)(=O)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C36H42N4O6S/c1-4-46-28-11-9-27(10-12-28)37-34(43)24-8-13-31(39-19-23-16-25(21-39)30-6-5-7-33(42)40(30)20-23)29(17-24)38-47(44,45)22-36-15-14-26(18-32(36)41)35(36,2)3/h5-13,17,23,25-26,38H,4,14-16,18-22H2,1-3H3,(H,37,43)

InChI Key

PJASRMNOXOBXBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.82

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.902

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-5.44

Polar Surface Area

104.975

Acid Dissociation Constant (pK_a)

4.34

Base Dissociation Constant (pK_b)

2.00

Number of Chiral Centers

4.00

Percent sp³ carbon bonding

47.20

K622-0279 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 K622-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K622-0279?
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What is the minimum amount of K622-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K622-0279
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K622-0279

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 K622-0279 available by request