G599-0242 Screening compound: methyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0242 Screening compound: methyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0242 Screening compound: methyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0242
methyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G599-0242

Molecular Formula

C24H20N2O4S (C24 H20 N2 O4 S)

Compound Name

methyl 11-oxo-10-[2-oxo-2-(2-toluidino)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

methyl 9-{[(2-methylphenyl)carbamoyl]methyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

Cc(cccc1)c1NC(CN(c(cc(cc1)C(OC)=O)c1Sc1c2cccc1)C2=O)=O

InChI

InChI=1S/C24H20N2O4S/c1-15-7-3-5-9-18(15)25-22(27)14-26-19-13-16(24(29)30-2)11-12-21(19)31-20-10-6-4-8-17(20)23(26)28/h3-13H,14H2,1-2H3,(H,25,27)

InChI Key

CMSWJVYTUZOPEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.33

Polar Surface Area

59.026

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G599-0242 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0242?
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What is the minimum amount of G599-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0242
  • 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 G599-0242 available by request