8001-2124 Screening compound: N'-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-bromobenzohydrazide

8001-2124 Screening compound: N'-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-bromobenzohydrazide
8001-2124 Screening compound: N'-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-bromobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2124
N'-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-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

8001-2124

Molecular Formula

C19H12BrN3O2S2 (C19 H12 BrN3 O2 S2)

Compound Name

N'-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-bromobenzohydrazide

IUPAC name

N'-[(E)-[5-(13-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-bromobenzohydrazide

SMILES

O=C(c1cccc(Br)c1)N/N=C/c(o1)ccc1Sc1nc(cccc2)c2s1

InChI

InChI=1S/C19H12BrN3O2S2/c20-13-5-3-4-12(10-13)18(24)23-21-11-14-8-9-17(25-14)27-19-22-15-6-1-2-7-16(15)26-19/h1-11H,(H,23,24)

InChI Key

ATFNWJZWIZMIPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.596

Distribution Coefficient, logD

6.590

Water Solubility, LogSw

-6.17

Polar Surface Area

52.426

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-2124 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8001-2124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2124?
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What is the minimum amount of 8001-2124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2124
  • 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 8001-2124 available by request