J049-0907 Screening compound: N~7~-(3-chloro-4-methylphenyl)-3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

J049-0907 Screening compound: N~7~-(3-chloro-4-methylphenyl)-3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
J049-0907 Screening compound: N~7~-(3-chloro-4-methylphenyl)-3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-0907
N~7~-(3-chloro-4-methylphenyl)-3-methyl-1,1-dioxo-4-propyl-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

J049-0907

Molecular Formula

C19H20ClN3O3S (C19 H20 ClN3 O3 S)

Compound Name

N~7~-(3-chloro-4-methylphenyl)-3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-3-methyl-11-dioxo-4-propyl-4H-1lambda624-benzothiadiazine-7-carboxamide

SMILES

CCCN(C(C)=N1)c(ccc(C(Nc2cc(Cl)c(C)cc2)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C19H20ClN3O3S/c1-4-9-23-13(3)22-27(25,26)18-10-14(6-8-17(18)23)19(24)21-15-7-5-12(2)16(20)11-15/h5-8,10-11H,4,9H2,1-3H3,(H,21,24)

InChI Key

KLARTBKPVWUIIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.55

Polar Surface Area

65.669

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J049-0907 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 J049-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-0907?
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What is the minimum amount of J049-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-0907
  • 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 J049-0907 available by request