G599-0205 Screening compound: methyl 10-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

Chemical Structure Depiction of ChemDiv screening compound G599-0205
methyl 10-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

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

G599-0205

Molecular Formula

C₂₄H₂₂N₂O₄S (C24 H22 N2 O4 S)

Compound Name

methyl 10-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

methyl 9-[(4-methoxy-35-dimethylpyridin-2-yl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

Cc1cnc(CN(c(cc(cc2)C(OC)=O)c2Sc2c3cccc2)C3=O)c(C)c1OC

InChI

InChI=1S/C24H22N2O4S/c1-14-12-25-18(15(2)22(14)29-3)13-26-19-11-16(24(28)30-4)9-10-21(19)31-20-8-6-5-7-17(20)23(26)27/h5-12H,13H2,1-4H3

InChI Key

BRRAPNCRRKSYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.42

Polar Surface Area

54.695

Acid Dissociation Constant (pK_a)

25.57

Base Dissociation Constant (pK_b)

3.02

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

20.80

G599-0205 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Cancer
Antiviral
Infections
Immune system
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

Kinases
Proteases
GPCR

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with G599-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0205?
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What is the minimum amount of G599-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for G599-0205
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for G599-0205

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 G599-0205 available by request