G599-0378 Screening compound: ethyl 11-oxo-10-[1-(4-toluidinocarbonyl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0378 Screening compound: ethyl 11-oxo-10-[1-(4-toluidinocarbonyl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0378 Screening compound: ethyl 11-oxo-10-[1-(4-toluidinocarbonyl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0378
ethyl 11-oxo-10-[1-(4-toluidinocarbonyl)propyl]-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

G599-0378

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

ethyl 11-oxo-10-[1-(4-toluidinocarbonyl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 9-{1-[(4-methylphenyl)carbamoyl]propyl}-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

CCC(C(Nc1ccc(C)cc1)=O)N(c(cc(cc1)C(OCC)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C27H26N2O4S/c1-4-21(25(30)28-19-13-10-17(3)11-14-19)29-22-16-18(27(32)33-5-2)12-15-24(22)34-23-9-7-6-8-20(23)26(29)31/h6-16,21H,4-5H2,1-3H3,(H,28,30)/t21-/m0/s1

InChI Key

GBJHZXLUQYJHSH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27145765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.266

Distribution Coefficient, logD

6.266

Water Solubility, LogSw

-5.45

Polar Surface Area

58.442

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G599-0378 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 G599-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0378?
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What is the minimum amount of G599-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0378
  • 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 G599-0378 available by request