G550-1055 Screening compound: 7-chloro-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-1055 Screening compound: 7-chloro-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-1055 Screening compound: 7-chloro-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-1055
7-chloro-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-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

G550-1055

Molecular Formula

C17H18ClN3O6S (C17 H18 ClN3 O6 S)

Compound Name

7-chloro-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

7-chloro-11-dioxo-N-(345-trimethoxyphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

COc1cc(NC(C(Nc(cc2)c3cc2Cl)NS3(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C17H18ClN3O6S/c1-25-12-7-10(8-13(26-2)15(12)27-3)19-17(22)16-20-11-5-4-9(18)6-14(11)28(23,24)21-16/h4-8,16,20-21H,1-3H3,(H,19,22)/t16-/m1/s1

InChI Key

QIUGWEIIINSPGY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27144158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.865

Distribution Coefficient, logD

0.862

Water Solubility, LogSw

-2.53

Polar Surface Area

98.441

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

G550-1055 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G550-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-1055?
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What is the minimum amount of G550-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-1055
  • 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 G550-1055 available by request