G550-0170 Screening compound: N~3~-(4-fluoro-2-methylphenyl)-6-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0170 Screening compound: N~3~-(4-fluoro-2-methylphenyl)-6-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0170 Screening compound: N~3~-(4-fluoro-2-methylphenyl)-6-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0170
N~3~-(4-fluoro-2-methylphenyl)-6-methyl-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

G550-0170

Molecular Formula

C16H16FN3O3S (C16 H16 FN3 O3 S)

Compound Name

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

IUPAC name

N-(4-fluoro-2-methylphenyl)-6-methyl-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

Cc(cc1)cc(NC(C(Nc(cc2)c(C)cc2F)=O)N2)c1S2(=O)=O

InChI

InChI=1S/C16H16FN3O3S/c1-9-3-6-14-13(7-9)18-15(20-24(14,22)23)16(21)19-12-5-4-11(17)8-10(12)2/h3-8,15,18,20H,1-2H3,(H,19,21)/t15-/m0/s1

InChI Key

PBMAWDIYRPARKO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27144070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

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

1.609

Distribution Coefficient, logD

1.607

Water Solubility, LogSw

-2.44

Polar Surface Area

74.766

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

G550-0170 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G550-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0170?
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What is the minimum amount of G550-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0170
  • 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 G550-0170 available by request