3584-0894 Screening compound: (5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0894 Screening compound: (5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0894 Screening compound: (5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0894
(5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}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

3584-0894

Molecular Formula

C18H13BrFNO3S2 (C18 H13 BrFNO3 S2)

Compound Name

(5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(\C(N2)=O)/SC2=S)cc(Br)c1OCc(cccc1)c1F

InChI

InChI=1S/C18H13BrFNO3S2/c1-23-14-7-10(8-15-17(22)21-18(25)26-15)6-12(19)16(14)24-9-11-4-2-3-5-13(11)20/h2-8H,9H2,1H3,(H,21,22,25)

InChI Key

QQRBUTQPLJPDGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-4.04

Polar Surface Area

39.931

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3584-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0894?
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What is the minimum amount of 3584-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0894
  • 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 3584-0894 available by request