4490-1889 Screening compound: (5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

4490-1889 Screening compound: (5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
4490-1889 Screening compound: (5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1889
(5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-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

4490-1889

Molecular Formula

C21H19N3O4S2 (C21 H19 N3 O4 S2)

Compound Name

(5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-benzyl-5-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc1)cc(/C=C(\C(N2Cc3ccccc3)=O)/SC2=S)c1N1CCOCC1)=O

InChI

InChI=1S/C21H19N3O4S2/c25-20-19(30-21(29)23(20)14-15-4-2-1-3-5-15)13-16-12-17(24(26)27)6-7-18(16)22-8-10-28-11-9-22/h1-7,12-13H,8-11,14H2

InChI Key

IFUSIEUDUZJKSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.35

Polar Surface Area

60.884

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4490-1889 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4490-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1889?
Check Price and Availability of 4490-1889, 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 4490-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1889
  • 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 4490-1889 available by request