G550-0029 Screening compound: N~3~-(4-bromophenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0029 Screening compound: N~3~-(4-bromophenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0029 Screening compound: N~3~-(4-bromophenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0029
N~3~-(4-bromophenyl)-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

G550-0029

Molecular Formula

C14H12BrN3O3S (C14 H12 BrN3 O3 S)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

O=C(C(Nc1c2cccc1)NS2(=O)=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C14H12BrN3O3S/c15-9-5-7-10(8-6-9)16-14(19)13-17-11-3-1-2-4-12(11)22(20,21)18-13/h1-8,13,17-18H,(H,16,19)/t13-/m0/s1

InChI Key

NXVSGNYPBACXIC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15019134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.24

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

1.878

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-2.52

Polar Surface Area

75.463

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

G550-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 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 G550-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0029?
Check Price and Availability of G550-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G550-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0029
  • 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 G550-0029 available by request