3584-0634 Screening compound: (5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0634 Screening compound: (5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0634 Screening compound: (5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0634
(5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]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

3584-0634

Molecular Formula

C20H18N2O5S2 (C20 H18 N2 O5 S2)

Compound Name

(5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-ethyl-5-{[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c(cc(cc2)[N+]([O-])=O)c2OCCOc2ccccc2)=O)C1=S

InChI

InChI=1S/C20H18N2O5S2/c1-2-21-19(23)18(29-20(21)28)13-14-12-15(22(24)25)8-9-17(14)27-11-10-26-16-6-4-3-5-7-16/h3-9,12-13H,2,10-11H2,1H3

InChI Key

YRGPCTXCPBZJFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.869

Water Solubility, LogSw

-4.62

Polar Surface Area

64.471

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3584-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0634?
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What is the minimum amount of 3584-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0634
  • 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 3584-0634 available by request