1015-0121 Screening compound: 2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

1015-0121 Screening compound: 2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate
1015-0121 Screening compound: 2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1015-0121
2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

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

1015-0121

Molecular Formula

C19H14FNO4S2 (C19 H14 FNO4 S2)

Compound Name

2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

IUPAC name

2-ethoxy-5-{[(5E)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

SMILES

CCOc(ccc(/C=C(\C(N1)=O)/SC1=S)c1)c1OC(c(cc1)ccc1F)=O

InChI

InChI=1S/C19H14FNO4S2/c1-2-24-14-8-3-11(10-16-17(22)21-19(26)27-16)9-15(14)25-18(23)12-4-6-13(20)7-5-12/h3-10H,2H2,1H3,(H,21,22,26)

InChI Key

IIVXGSPMFHRAIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-3.57

Polar Surface Area

52.575

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1015-0121 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1015-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1015-0121?
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What is the minimum amount of 1015-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1015-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1015-0121
  • 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 1015-0121 available by request