2368-1312 Screening compound: (2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one

2368-1312 Screening compound: (2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
2368-1312 Screening compound: (2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1312
(2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-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

2368-1312

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

(2Z,5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one

IUPAC name

(2Z5E)-5-{[25-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-13-thiazolidin-4-one

SMILES

Cc1cc(/C=C(\C(N2)=O)/S/C2=N\c2ccccc2)c(C)n1-c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C22H18N4O3S/c1-14-11-16(15(2)25(14)18-9-6-10-19(13-18)26(28)29)12-20-21(27)24-22(30-20)23-17-7-4-3-5-8-17/h3-13H,1-2H3,(H,23,24,27)

InChI Key

MYBXJGOMQFVWNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.05

Polar Surface Area

69.199

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2368-1312 in Drug Discovery

Included in Screening Libraries

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 2368-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1312?
Check Price and Availability of 2368-1312, 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 2368-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1312
  • 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 2368-1312 available by request