G599-0489 Screening compound: ethyl 10-{1-[(2,4-difluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0489 Screening compound: ethyl 10-{1-[(2,4-difluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0489 Screening compound: ethyl 10-{1-[(2,4-difluoroanilino)carbonyl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0489
ethyl 10-{1-[(2,4-difluoroanilino)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

G599-0489

Molecular Formula

C26H22F2N2O4S (C26 H22 F2 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 9-{1-[(24-difluorophenyl)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(ccc(F)c1)c1F)=O)N(c(cc(cc1)C(OCC)=O)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C26H22F2N2O4S/c1-3-20(24(31)29-19-11-10-16(27)14-18(19)28)30-21-13-15(26(33)34-4-2)9-12-23(21)35-22-8-6-5-7-17(22)25(30)32/h5-14,20H,3-4H2,1-2H3,(H,29,31)/t20-/m0/s1

InChI Key

OCOFVCFTDKFSBO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27145782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.53

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

6.057

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-5.49

Polar Surface Area

57.745

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

G599-0489 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 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
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0489?
Check Price and Availability of G599-0489, 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 G599-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0489
  • 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 G599-0489 available by request