4410-4149 Screening compound: (5E)-1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

4410-4149 Screening compound: (5E)-1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
4410-4149 Screening compound: (5E)-1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4149
(5E)-1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-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

4410-4149

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

(5E)-1,3-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-13-diethyl-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

CCN(/C(/C(N1CC)=O)=C/c2cccn2-c(cc2)ccc2[N+]([O-])=O)C1=S

InChI

InChI=1S/C18H18N4O3S/c1-3-19-16(17(23)20(4-2)18(19)26)12-15-6-5-11-21(15)13-7-9-14(10-8-13)22(24)25/h5-12H,3-4H2,1-2H3

InChI Key

LTHHKJZFEWMBSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-3.78

Polar Surface Area

53.779

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4410-4149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4410-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4149?
Check Price and Availability of 4410-4149, 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 4410-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4149
  • 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 4410-4149 available by request