G599-0352 Screening compound: ethyl 10-{1-[(2-fluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0352 Screening compound: ethyl 10-{1-[(2-fluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0352 Screening compound: ethyl 10-{1-[(2-fluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0352
ethyl 10-{1-[(2-fluoroanilino)carbonyl]propyl}-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

G599-0352

Molecular Formula

C26H23FN2O4S (C26 H23 FN2 O4 S)

Compound Name

ethyl 10-{1-[(2-fluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 9-{1-[(2-fluorophenyl)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(Nc(cccc1)c1F)=O)N(c(cc(cc1)C(OCC)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C26H23FN2O4S/c1-3-20(24(30)28-19-11-7-6-10-18(19)27)29-21-15-16(26(32)33-4-2)13-14-23(21)34-22-12-8-5-9-17(22)25(29)31/h5-15,20H,3-4H2,1-2H3,(H,28,30)/t20-/m0/s1

InChI Key

FFHMPLWMOUAQBP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27145760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.54

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

5.921

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-5.50

Polar Surface Area

57.745

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

G599-0352 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0352?
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What is the minimum amount of G599-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0352
  • 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 G599-0352 available by request