G550-0780 Screening compound: N~3~-(3,4-difluorophenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0780 Screening compound: N~3~-(3,4-difluorophenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0780 Screening compound: N~3~-(3,4-difluorophenyl)-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 G550-0780
N~3~-(3,4-difluorophenyl)-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

G550-0780

Molecular Formula

C14H10F3N3O3S (C14 H10 F3 N3 O3 S)

Compound Name

N~3~-(3,4-difluorophenyl)-6-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

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

SMILES

O=C(C(Nc1c2ccc(F)c1)NS2(=O)=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C14H10F3N3O3S/c15-7-1-4-12-11(5-7)19-13(20-24(12,22)23)14(21)18-8-2-3-9(16)10(17)6-8/h1-6,13,19-20H,(H,18,21)/t13-/m0/s1

InChI Key

DKDMRRWOJGUHRK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27144121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.529

Distribution Coefficient, logD

1.451

Water Solubility, LogSw

-2.35

Polar Surface Area

75.463

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

G550-0780 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G550-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0780?
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What is the minimum amount of G550-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0780
  • 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 G550-0780 available by request