G599-0104 Screening compound: ethyl 10-[2-(ethyl-3-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0104 Screening compound: ethyl 10-[2-(ethyl-3-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0104 Screening compound: ethyl 10-[2-(ethyl-3-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0104
ethyl 10-[2-(ethyl-3-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

G599-0104

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

ethyl 10-[2-(ethyl-3-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

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

SMILES

CCN(C(CN(c(cc(cc1)C(OCC)=O)c1Sc1c2cccc1)C2=O)=O)c1cc(C)ccc1

InChI

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

InChI Key

KDLGSFQFJKKZNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-5.45

Polar Surface Area

51.246

Acid Dissociation Constant (pKa)

20.64

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G599-0104 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 G599-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0104?
Check Price and Availability of G599-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G599-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0104
  • 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 G599-0104 available by request