2368-1596 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

2368-1596 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
2368-1596 Screening compound: 5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1596
5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

2368-1596

Molecular Formula

C27H18ClN3O2S (C27 H18 ClN3 O2 S)

Compound Name

5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[1-(4-chlorophenyl)-25-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1)=O)=Cc(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)NC1=S

InChI

InChI=1S/C27H18ClN3O2S/c28-20-11-13-21(14-12-20)31-23(17-7-3-1-4-8-17)16-19(24(31)18-9-5-2-6-10-18)15-22-25(32)29-27(34)30-26(22)33/h1-16H,(H2,29,30,32,33,34)

InChI Key

ZTQYUBZLFPVFND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

5.983

Water Solubility, LogSw

-6.41

Polar Surface Area

49.806

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2368-1596 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2368-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1596?
Check Price and Availability of 2368-1596, 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 2368-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1596
  • 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 2368-1596 available by request