1123-0362 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide

1123-0362 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
1123-0362 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1123-0362
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide

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

1123-0362

Molecular Formula

C16H13N3O2S2 (C16 H13 N3 O2 S2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide

SMILES

Oc1cccc(/C=N/NC(CSc2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C16H13N3O2S2/c20-12-5-3-4-11(8-12)9-17-19-15(21)10-22-16-18-13-6-1-2-7-14(13)23-16/h1-9,20H,10H2,(H,19,21)

InChI Key

KORZRFCTBCNNOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00401280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-3.82

Polar Surface Area

62.039

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1123-0362 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1123-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1123-0362?
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What is the minimum amount of 1123-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1123-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1123-0362
  • 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 1123-0362 available by request