2151-0532 Screening compound: (5Z)-5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

2151-0532 Screening compound: (5Z)-5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
2151-0532 Screening compound: (5Z)-5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-0532
(5Z)-5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-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

2151-0532

Molecular Formula

C20H15N3O7S2 (C20 H15 N3 O7 S2)

Compound Name

(5Z)-5-{[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[3-(24-dinitrophenoxy)-4-methoxyphenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(ccc(/C=C(/C(N1CC=C)=O)\SC1=S)c1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H15N3O7S2/c1-3-8-21-19(24)18(32-20(21)31)10-12-4-6-16(29-2)17(9-12)30-15-7-5-13(22(25)26)11-14(15)23(27)28/h3-7,9-11H,1,8H2,2H3

InChI Key

VJGCVAGPVPRLSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.59

Polar Surface Area

97.706

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 2151-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-0532?
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What is the minimum amount of 2151-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-0532
  • 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 2151-0532 available by request