8018-9937 Screening compound: 2-{1-[(6-chloro-3-pyridyl)methyl]tetrahydro-2H-imidazol-2-yliden}-1-oxo-1-hydraziniumolate

8018-9937 Screening compound: 2-{1-[(6-chloro-3-pyridyl)methyl]tetrahydro-2H-imidazol-2-yliden}-1-oxo-1-hydraziniumolate
8018-9937 Screening compound: 2-{1-[(6-chloro-3-pyridyl)methyl]tetrahydro-2H-imidazol-2-yliden}-1-oxo-1-hydraziniumolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9937
2-{1-[(6-chloro-3-pyridyl)methyl]tetrahydro-2H-imidazol-2-yliden}-1-oxo-1-hydraziniumolate

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

8018-9937

Molecular Formula

C9H10ClN5O2 (C9 H10 ClN5 O2)

Compound Name

2-{1-[(6-chloro-3-pyridyl)methyl]tetrahydro-2H-imidazol-2-yliden}-1-oxo-1-hydraziniumolate

IUPAC name

2-chloro-5-{[(2E)-2-(nitroimino)imidazolidin-1-yl]methyl}pyridine

SMILES

[O-][N+](/N=C1/N(Cc(cc2)cnc2Cl)CCN1)=O

InChI

InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

InChI Key

YWTYJOPNNQFBPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01721131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.129

Water Solubility, LogSw

-2.13

Polar Surface Area

70.654

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8018-9937 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-9937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9937?
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What is the minimum amount of 8018-9937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9937
  • 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 8018-9937 available by request