G599-0309 Screening compound: ethyl 10-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0309 Screening compound: ethyl 10-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0309 Screening compound: ethyl 10-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0309
ethyl 10-[2-(3-fluoro-4-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

G599-0309

Molecular Formula

C25H21FN2O4S (C25 H21 FN2 O4 S)

Compound Name

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

IUPAC name

ethyl 9-{[(3-fluoro-4-methylphenyl)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(F)c(C)cc3)=O)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C25H21FN2O4S/c1-3-32-25(31)16-9-11-22-20(12-16)28(24(30)18-6-4-5-7-21(18)33-22)14-23(29)27-17-10-8-15(2)19(26)13-17/h4-13H,3,14H2,1-2H3,(H,27,29)

InChI Key

SWIQPKCWPSPEFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.884

Distribution Coefficient, logD

5.884

Water Solubility, LogSw

-5.43

Polar Surface Area

59.304

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G599-0309 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0309?
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What is the minimum amount of G599-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0309
  • 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 G599-0309 available by request