0806-0425 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

0806-0425 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate
0806-0425 Screening compound: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0425
2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

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

0806-0425

Molecular Formula

C18H12BrNO4S2 (C18 H12 BrNO4 S2)

Compound Name

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

IUPAC name

2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

SMILES

COc(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1OC(c1cccc(Br)c1)=O

InChI

InChI=1S/C18H12BrNO4S2/c1-23-14-7-10(8-15-16(21)20-18(25)26-15)5-6-13(14)24-17(22)11-3-2-4-12(19)9-11/h2-9H,1H3,(H,20,21,25)

InChI Key

UETYANIPUIFCRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

2.105

Water Solubility, LogSw

-3.91

Polar Surface Area

52.995

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 0806-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0425?
Check Price and Availability of 0806-0425, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0806-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0425
  • 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 0806-0425 available by request