J049-0807 Screening compound: N~7~-(4-bromophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

J049-0807 Screening compound: N~7~-(4-bromophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
J049-0807 Screening compound: N~7~-(4-bromophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J049-0807
N~7~-(4-bromophenyl)-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

J049-0807

Molecular Formula

C17H16BrN3O3S (C17 H16 BrN3 O3 S)

Compound Name

N~7~-(4-bromophenyl)-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide

IUPAC name

N-(4-bromophenyl)-11-dioxo-4-propyl-4H-1lambda624-benzothiadiazine-7-carboxamide

SMILES

CCCN(C=N1)c(ccc(C(Nc(cc2)ccc2Br)=O)c2)c2S1(=O)=O

InChI

InChI=1S/C17H16BrN3O3S/c1-2-9-21-11-19-25(23,24)16-10-12(3-8-15(16)21)17(22)20-14-6-4-13(18)5-7-14/h3-8,10-11H,2,9H2,1H3,(H,20,22)

InChI Key

IPAOWDBUJACBJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.3

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

3.582

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.91

Polar Surface Area

66.806

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with J049-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J049-0807?
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What is the minimum amount of J049-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J049-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J049-0807
  • 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 J049-0807 available by request