4872-0087 Screening compound: 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine

4872-0087 Screening compound: 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine
4872-0087 Screening compound: 2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0087
2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine

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

4872-0087

Molecular Formula

C13H13Cl2N3O2S (C13 H13 Cl2 N3 O2 S)

Compound Name

2-{3,3-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine

IUPAC name

2-{33-dichloro-2-[(4-methylphenyl)sulfanyl]-1-nitroprop-2-en-1-ylidene}imidazolidine

SMILES

Cc(cc1)ccc1SC(C([N+]([O-])=O)=C1NCCN1)=C(Cl)Cl

InChI

InChI=1S/C13H13Cl2N3O2S/c1-8-2-4-9(5-3-8)21-11(12(14)15)10(18(19)20)13-16-6-7-17-13/h2-5,16-17H,6-7H2,1H3

InChI Key

PZAZUDAZSZHGCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.95

Polar Surface Area

55.362

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 4872-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0087?
Check Price and Availability of 4872-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4872-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0087
  • 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 4872-0087 available by request