G743-0146 Screening compound: 3-[4-(1-azepanylcarbonyl)phenyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

G743-0146 Screening compound: 3-[4-(1-azepanylcarbonyl)phenyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
G743-0146 Screening compound: 3-[4-(1-azepanylcarbonyl)phenyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G743-0146
3-[4-(1-azepanylcarbonyl)phenyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

G743-0146

Molecular Formula

C21H22F3N3O3S (C21 H22 F3 N3 O3 S)

Compound Name

3-[4-(1-azepanylcarbonyl)phenyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-[4-(azepane-1-carbonyl)phenyl]-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

O=C(c1ccc(C(Nc2c3ccc(C(F)(F)F)c2)NS3(=O)=O)cc1)N1CCCCCC1

InChI

InChI=1S/C21H22F3N3O3S/c22-21(23,24)16-9-10-18-17(13-16)25-19(26-31(18,29)30)14-5-7-15(8-6-14)20(28)27-11-3-1-2-4-12-27/h5-10,13,19,25-26H,1-4,11-12H2/t19-/m0/s1

InChI Key

CWXQYNOVUOVTJW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15031162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.75

Polar Surface Area

69.080

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G743-0146 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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 G743-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G743-0146?
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What is the minimum amount of G743-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G743-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G743-0146
  • 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 G743-0146 available by request