4228-0450 Screening compound: (5Z)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

4228-0450 Screening compound: (5Z)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one
4228-0450 Screening compound: (5Z)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0450
(5Z)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

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

4228-0450

Molecular Formula

C22H17N5O6S (C22 H17 N5 O6 S)

Compound Name

(5Z)-5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-({1-[4-(24-dinitrophenoxy)phenyl]-25-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

SMILES

Cc1cc(/C=C(/C(N2)=O)\NC2=S)c(C)n1-c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H17N5O6S/c1-12-9-14(10-18-21(28)24-22(34)23-18)13(2)25(12)15-3-6-17(7-4-15)33-20-8-5-16(26(29)30)11-19(20)27(31)32/h3-11H,1-2H3,(H2,23,24,28,34)

InChI Key

HVYYHJMRLJPJBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02602754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.05

Polar Surface Area

112.255

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 4228-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0450?
Check Price and Availability of 4228-0450, 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 4228-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0450
  • 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 4228-0450 available by request