4872-0336 Screening compound: 2-chloro-5-{[(2E)-4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidin-3-yl]methyl}pyridine

4872-0336 Screening compound: 2-chloro-5-{[(2E)-4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidin-3-yl]methyl}pyridine
4872-0336 Screening compound: 2-chloro-5-{[(2E)-4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidin-3-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0336
2-chloro-5-{[(2E)-4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidin-3-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

4872-0336

Molecular Formula

C14H13Cl4N3O3 (C14 H13 Cl4 N3 O3)

Compound Name

2-chloro-5-{[(2E)-4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-1,3-oxazolidin-3-yl]methyl}pyridine

IUPAC name

2-chloro-5-{[(2E)-4-ethyl-2-(233-trichloro-1-nitroprop-2-en-1-ylidene)-13-oxazolidin-3-yl]methyl}pyridine

SMILES

CCC(CO1)N(Cc(cc2)cnc2Cl)/C1=C(/C(Cl)=C(Cl)Cl)\[N+]([O-])=O

InChI

InChI=1S/C14H13Cl4N3O3/c1-2-9-7-24-14(12(21(22)23)11(16)13(17)18)20(9)6-8-3-4-10(15)19-5-8/h3-5,9H,2,6-7H2,1H3/t9-/m0/s1

InChI Key

ZXGCXEKOXWCNHB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03448046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.37

Polar Surface Area

56.266

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4872-0336 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4872-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0336?
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What is the minimum amount of 4872-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0336
  • 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 4872-0336 available by request