2151-0530 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate

2151-0530 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate
2151-0530 Screening compound: 2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2151-0530
2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate

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

2151-0530

Molecular Formula

C21H16INO4S2 (C21 H16 INO4 S2)

Compound Name

2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate

IUPAC name

2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 2-iodobenzoate

SMILES

COc(cc(/C=C(/C(N1CC=C)=O)\SC1=S)cc1)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C21H16INO4S2/c1-3-10-23-19(24)18(29-21(23)28)12-13-8-9-16(17(11-13)26-2)27-20(25)14-6-4-5-7-15(14)22/h3-9,11-12H,1,10H2,2H3

InChI Key

IUZKJHDXSKOYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.73

Polar Surface Area

44.787

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2151-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2151-0530?
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What is the minimum amount of 2151-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2151-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2151-0530
  • 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 2151-0530 available by request