1504-0528 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide

1504-0528 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide
1504-0528 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1504-0528
3-methyl-N-[2,2,2-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide

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

1504-0528

Molecular Formula

C25H25Cl3N2O4S2 (C25 H25 Cl3 N2 O4 S2)

Compound Name

3-methyl-N-[2,2,2-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide

IUPAC name

3-methyl-N-[222-trichloro-1-(4-{[(5E)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide

SMILES

CCOc(cc1)ccc1N(C(/C(/S1)=C\c(cc2)ccc2OC(C(Cl)(Cl)Cl)NC(CC(C)C)=O)=O)C1=S

InChI

InChI=1S/C25H25Cl3N2O4S2/c1-4-33-18-11-7-17(8-12-18)30-22(32)20(36-24(30)35)14-16-5-9-19(10-6-16)34-23(25(26,27)28)29-21(31)13-15(2)3/h5-12,14-15,23H,4,13H2,1-3H3,(H,29,31)/t23-/m0/s1

InChI Key

PSXJEXWOUBNGIT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00858876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.522

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-6.48

Polar Surface Area

54.619

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 1504-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1504-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1504-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1504-0528
  • 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 1504-0528 available by request