J049-1560 Screening compound: 4-butyl-N~7~-(2,5-dimethoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

J049-1560 Screening compound: 4-butyl-N~7~-(2,5-dimethoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
J049-1560 Screening compound: 4-butyl-N~7~-(2,5-dimethoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-1560
4-butyl-N~7~-(2,5-dimethoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-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

J049-1560

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

4-butyl-N~7~-(2,5-dimethoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

IUPAC name

4-butyl-N-(25-dimethoxyphenyl)-3-methyl-11-dioxo-4H-1lambda624-benzothiadiazine-7-carboxamide

SMILES

CCCCN(C(C)=N1)c(ccc(C(Nc(cc(cc2)OC)c2OC)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C21H25N3O5S/c1-5-6-11-24-14(2)23-30(26,27)20-12-15(7-9-18(20)24)21(25)22-17-13-16(28-3)8-10-19(17)29-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,25)

InChI Key

GYSIUHOJSUYNFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.81

Polar Surface Area

80.145

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J049-1560 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J049-1560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-1560?
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What is the minimum amount of J049-1560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-1560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-1560
  • 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 J049-1560 available by request