0803-0005 Screening compound: 3-bromo-4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

0803-0005 Screening compound: 3-bromo-4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
0803-0005 Screening compound: 3-bromo-4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0803-0005
3-bromo-4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

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

0803-0005

Molecular Formula

C15H12BrN3O3S (C15 H12 BrN3 O3 S)

Compound Name

3-bromo-4-methoxybenzaldehyde 1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

COc(ccc(/C=N/NC(c1c2cccc1)=NS2(=O)=O)c1)c1Br

InChI

InChI=1S/C15H12BrN3O3S/c1-22-13-7-6-10(8-12(13)16)9-17-18-15-11-4-2-3-5-14(11)23(20,21)19-15/h2-9H,1H3,(H,18,19)

InChI Key

BPQIAOAKOOCXBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

1.617

Water Solubility, LogSw

-3.45

Polar Surface Area

70.699

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0803-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0803-0005?
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What is the minimum amount of 0803-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0803-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0803-0005
  • 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 0803-0005 available by request