G599-0463 Screening compound: ethyl 10-[2-(3-acetylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0463 Screening compound: ethyl 10-[2-(3-acetylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0463 Screening compound: ethyl 10-[2-(3-acetylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0463
ethyl 10-[2-(3-acetylanilino)-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

G599-0463

Molecular Formula

C26H22N2O5S (C26 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)cc(N2CC(Nc3cc(C(C)=O)ccc3)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C26H22N2O5S/c1-3-33-26(32)18-11-12-23-21(14-18)28(25(31)20-9-4-5-10-22(20)34-23)15-24(30)27-19-8-6-7-17(13-19)16(2)29/h4-14H,3,15H2,1-2H3,(H,27,30)

InChI Key

IZBISPNIYILNTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-4.47

Polar Surface Area

73.130

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G599-0463 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G599-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0463?
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What is the minimum amount of G599-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0463
  • 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 G599-0463 available by request