8006-4220 Screening compound: N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide

8006-4220 Screening compound: N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide
8006-4220 Screening compound: N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4220
N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide

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

8006-4220

Molecular Formula

C12H13N3O3S (C12 H13 N3 O3 S)

Compound Name

N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide

IUPAC name

N'-[(E)-(5-nitrothiophen-2-yl)methylidene]spiro[2.3]hexane-1-carbohydrazide

SMILES

[O-][N+](c1ccc(/C=N/NC(C(C2)C22CCC2)=O)s1)=O

InChI

InChI=1S/C12H13N3O3S/c16-11(9-6-12(9)4-1-5-12)14-13-7-8-2-3-10(19-8)15(17)18/h2-3,7,9H,1,4-6H2,(H,14,16)/t9-/m1/s1

InChI Key

KZIGRXHQXKGLIL-SECBINFHSA-N

MDL Number (MFCD)

MFCD00556655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.78

Polar Surface Area

71.080

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8006-4220 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-4220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4220?
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What is the minimum amount of 8006-4220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4220
  • 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 8006-4220 available by request