G599-0237 Screening compound: methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0237 Screening compound: methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0237 Screening compound: methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0237
methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G599-0237

Molecular Formula

C25H22N2O5S (C25 H22 N2 O5 S)

Compound Name

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

IUPAC name

methyl 9-{[(2-methoxy-5-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(cc1)cc(NC(CN(c(cc(cc2)C(OC)=O)c2Sc2c3cccc2)C3=O)=O)c1OC

InChI

InChI=1S/C25H22N2O5S/c1-15-8-10-20(31-2)18(12-15)26-23(28)14-27-19-13-16(25(30)32-3)9-11-22(19)33-21-7-5-4-6-17(21)24(27)29/h4-13H,14H2,1-3H3,(H,26,28)

InChI Key

YINYMAPSHLULFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.36

Polar Surface Area

66.656

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G599-0237 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 G599-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0237?
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What is the minimum amount of G599-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0237
  • 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 G599-0237 available by request