G550-0005 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0005 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0005 Screening compound: N~3~-(3,4-dimethylphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0005
N~3~-(3,4-dimethylphenyl)-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

G550-0005

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(Nc1c2cccc1)NS2(=O)=O)=O

InChI

InChI=1S/C16H17N3O3S/c1-10-7-8-12(9-11(10)2)17-16(20)15-18-13-5-3-4-6-14(13)23(21,22)19-15/h3-9,15,18-19H,1-2H3,(H,17,20)/t15-/m0/s1

InChI Key

DDPRLFFLKSICSE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09249500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

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

2.031

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.74

Polar Surface Area

75.463

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

G550-0005 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 G550-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0005?
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What is the minimum amount of G550-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0005
  • 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 G550-0005 available by request