3229-0958 Screening compound: 2-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol

3229-0958 Screening compound: 2-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol
3229-0958 Screening compound: 2-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0958
2-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol

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

3229-0958

Molecular Formula

C14H9BrN4O3S (C14 H9 BrN4 O3 S)

Compound Name

2-[(E)-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol

IUPAC name

2-[(E)-[2-(13-benzothiazol-2-yl)hydrazin-1-ylidene]methyl]-6-bromo-4-nitrophenol

SMILES

[O-][N+](c(cc1/C=N/Nc2nc(cccc3)c3s2)cc(Br)c1O)=O

InChI

InChI=1S/C14H9BrN4O3S/c15-10-6-9(19(21)22)5-8(13(10)20)7-16-18-14-17-11-3-1-2-4-12(11)23-14/h1-7,20H,(H,17,18)

InChI Key

OLUGZYSLQLOETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-5.61

Polar Surface Area

79.997

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-0958 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3229-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0958?
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What is the minimum amount of 3229-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0958
  • 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 3229-0958 available by request