4872-0711 Screening compound: N-{2,2-DICHLORO-1-[{1-[(6-CHLORO-3-PYRIDYL)METHYL]TETRAHYDRO-2H-IMIDAZOL-2-YLIDEN}(NITRO)METHYL]VINYL}-N-(2-METHOXYETHYL)-N-METHYLAMINE

4872-0711 Screening compound: N-{2,2-DICHLORO-1-[{1-[(6-CHLORO-3-PYRIDYL)METHYL]TETRAHYDRO-2H-IMIDAZOL-2-YLIDEN}(NITRO)METHYL]VINYL}-N-(2-METHOXYETHYL)-N-METHYLAMINE
4872-0711 Screening compound: N-{2,2-DICHLORO-1-[{1-[(6-CHLORO-3-PYRIDYL)METHYL]TETRAHYDRO-2H-IMIDAZOL-2-YLIDEN}(NITRO)METHYL]VINYL}-N-(2-METHOXYETHYL)-N-METHYLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0711
N-{2,2-DICHLORO-1-[{1-[(6-CHLORO-3-PYRIDYL)METHYL]TETRAHYDRO-2H-IMIDAZOL-2-YLIDEN}(NITRO)METHYL]VINYL}-N-(2-METHOXYETHYL)-N-METHYLAMINE

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

4872-0711

Molecular Formula

C16H20Cl3N5O3 (C16 H20 Cl3 N5 O3)

Compound Name

N-{2,2-DICHLORO-1-[{1-[(6-CHLORO-3-PYRIDYL)METHYL]TETRAHYDRO-2H-IMIDAZOL-2-YLIDEN}(NITRO)METHYL]VINYL}-N-(2-METHOXYETHYL)-N-METHYLAMINE

IUPAC name

n/a

SMILES

CN(CCOC)C(/C(/[N+]([O-])=O)=C1\N(Cc(cc2)cnc2Cl)CCN1)=C(Cl)Cl

InChI

InChI=1S/C16H20Cl3N5O3/c1-22(7-8-27-2)13(15(18)19)14(24(25)26)16-20-5-6-23(16)10-11-3-4-12(17)21-9-11/h3-4,9,20H,5-8,10H2,1-2H3

InChI Key

QHCROXTZWWIPRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.30

Polar Surface Area

69.348

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4872-0711 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4872-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0711?
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What is the minimum amount of 4872-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0711
  • 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 4872-0711 available by request