J049-2145 Screening compound: N~7~-(4-chloro-2-methylphenyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

J049-2145 Screening compound: N~7~-(4-chloro-2-methylphenyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
J049-2145 Screening compound: N~7~-(4-chloro-2-methylphenyl)-4-isobutyl-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-2145
N~7~-(4-chloro-2-methylphenyl)-4-isobutyl-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

J049-2145

Molecular Formula

C20H22ClN3O3S (C20 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

N-(4-chloro-2-methylphenyl)-3-methyl-4-(2-methylpropyl)-11-dioxo-4H-1lambda624-benzothiadiazine-7-carboxamide

SMILES

CC(C)CN(C(C)=N1)c(ccc(C(Nc(cc2)c(C)cc2Cl)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C20H22ClN3O3S/c1-12(2)11-24-14(4)23-28(26,27)19-10-15(5-8-18(19)24)20(25)22-17-7-6-16(21)9-13(17)3/h5-10,12H,11H2,1-4H3,(H,22,25)

InChI Key

CMBNYXUKCQHOPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.93

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

4.536

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.55

Polar Surface Area

64.993

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J049-2145 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 J049-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-2145?
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What is the minimum amount of J049-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-2145
  • 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 J049-2145 available by request