G599-0190 Screening compound: methyl 11-oxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

G599-0190 Screening compound: methyl 11-oxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
G599-0190 Screening compound: methyl 11-oxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G599-0190
methyl 11-oxo-10-[3-(trifluoromethyl)benzyl]-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

G599-0190

Molecular Formula

C23H16F3NO3S (C23 H16 F3 NO3 S)

Compound Name

methyl 11-oxo-10-[3-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

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

SMILES

COC(c(cc1)cc(N2Cc3cc(C(F)(F)F)ccc3)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C23H16F3NO3S/c1-30-22(29)15-9-10-20-18(12-15)27(21(28)17-7-2-3-8-19(17)31-20)13-14-5-4-6-16(11-14)23(24,25)26/h2-12H,13H2,1H3

InChI Key

UEUUPDFAQOJWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.075

Distribution Coefficient, logD

6.075

Water Solubility, LogSw

-5.67

Polar Surface Area

36.574

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G599-0190 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G599-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G599-0190?
Check Price and Availability of G599-0190, 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 G599-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G599-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G599-0190
  • 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 G599-0190 available by request