1981-1395 Screening compound: N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide

1981-1395 Screening compound: N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide
1981-1395 Screening compound: N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1395
N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide

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

1981-1395

Molecular Formula

C23H18BrN3O2S2 (C23 H18 BrN3 O2 S2)

Compound Name

N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide

IUPAC name

N'-[(E)-{3-[(13-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-4-bromobenzohydrazide

SMILES

COc1c(CSc2nc(cccc3)c3s2)cc(/C=N/NC(c(cc2)ccc2Br)=O)cc1

InChI

InChI=1S/C23H18BrN3O2S2/c1-29-20-11-6-15(13-25-27-22(28)16-7-9-18(24)10-8-16)12-17(20)14-30-23-26-19-4-2-3-5-21(19)31-23/h2-13H,14H2,1H3,(H,27,28)

InChI Key

NVRHQQGVSTXEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.694

Distribution Coefficient, logD

6.680

Water Solubility, LogSw

-5.70

Polar Surface Area

51.995

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

1981-1395 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 1981-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1981-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1395
  • 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 1981-1395 available by request