4872-0284 Screening compound: 2-chloro-5-{[(2Z)-3-methyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine

4872-0284 Screening compound: 2-chloro-5-{[(2Z)-3-methyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine
4872-0284 Screening compound: 2-chloro-5-{[(2Z)-3-methyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0284
2-chloro-5-{[(2Z)-3-methyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine

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

4872-0284

Molecular Formula

C13H12Cl4N4O2 (C13 H12 Cl4 N4 O2)

Compound Name

2-chloro-5-{[(2Z)-3-methyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine

IUPAC name

2-chloro-5-{[(2Z)-3-methyl-2-(233-trichloro-1-nitroprop-2-en-1-ylidene)imidazolidin-1-yl]methyl}pyridine

SMILES

CN(CCN1Cc(cc2)cnc2Cl)/C1=C(\C(Cl)=C(Cl)Cl)/[N+]([O-])=O

InChI

InChI=1S/C13H12Cl4N4O2/c1-19-4-5-20(7-8-2-3-9(14)18-6-8)13(19)11(21(22)23)10(15)12(16)17/h2-3,6H,4-5,7H2,1H3

InChI Key

BHCWVYDBPKXXEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.265

Water Solubility, LogSw

-3.40

Polar Surface Area

52.286

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4872-0284 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4872-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0284?
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What is the minimum amount of 4872-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0284
  • 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 4872-0284 available by request