G550-0857 Screening compound: N~3~-[2-(aminocarbonyl)phenyl]-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0857 Screening compound: N~3~-[2-(aminocarbonyl)phenyl]-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0857 Screening compound: N~3~-[2-(aminocarbonyl)phenyl]-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0857
N~3~-[2-(aminocarbonyl)phenyl]-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

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

G550-0857

Molecular Formula

C15H13FN4O4S (C15 H13 FN4 O4 S)

Compound Name

N~3~-[2-(aminocarbonyl)phenyl]-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

N-(2-carbamoylphenyl)-6-fluoro-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

NC(c(cccc1)c1NC(C(Nc1c2ccc(F)c1)NS2(=O)=O)=O)=O

InChI

InChI=1S/C15H13FN4O4S/c16-8-5-6-12-11(7-8)18-14(20-25(12,23)24)15(22)19-10-4-2-1-3-9(10)13(17)21/h1-7,14,18,20H,(H2,17,21)(H,19,22)/t14-/m0/s1

InChI Key

WUIPNJOLEBTVSK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27144146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.059

Distribution Coefficient, logD

0.057

Water Solubility, LogSw

-2.38

Polar Surface Area

108.825

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

G550-0857 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G550-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0857?
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What is the minimum amount of G550-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0857
  • 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 G550-0857 available by request