G743-0127 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopentylbenzamide

G743-0127 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopentylbenzamide
G743-0127 Screening compound: 4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0127
4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopentylbenzamide

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

G743-0127

Molecular Formula

C20H22F3N3O3S (C20 H22 F3 N3 O3 S)

Compound Name

4-[1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-isopentylbenzamide

IUPAC name

4-[11-dioxo-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl]-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCNC(c1ccc(C(Nc2c3ccc(C(F)(F)F)c2)NS3(=O)=O)cc1)=O

InChI

InChI=1S/C20H22F3N3O3S/c1-12(2)9-10-24-19(27)14-5-3-13(4-6-14)18-25-16-11-15(20(21,22)23)7-8-17(16)30(28,29)26-18/h3-8,11-12,18,25-26H,9-10H2,1-2H3,(H,24,27)/t18-/m0/s1

InChI Key

XBKIKVLKROSWEC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15031153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.92

Polar Surface Area

76.627

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G743-0127 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G743-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0127?
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What is the minimum amount of G743-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0127
  • 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 G743-0127 available by request