8009-3976 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

8009-3976 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile
8009-3976 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3976
2-(2-bromo-6-methoxy-4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

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

8009-3976

Molecular Formula

C25H18BrN3O3S (C25 H18 BrN3 O3 S)

Compound Name

2-(2-bromo-6-methoxy-4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

IUPAC name

2-(2-bromo-6-methoxy-4-{[(2Z5Z)-4-oxo-3-phenyl-2-(phenylimino)-13-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

SMILES

COc1cc(/C=C(/C(N2c3ccccc3)=O)\S/C2=N\c2ccccc2)cc(Br)c1OCC#N

InChI

InChI=1S/C25H18BrN3O3S/c1-31-21-15-17(14-20(26)23(21)32-13-12-27)16-22-24(30)29(19-10-6-3-7-11-19)25(33-22)28-18-8-4-2-5-9-18/h2-11,14-16H,13H2,1H3

InChI Key

LUGOMVNCOGXOOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.69

Polar Surface Area

56.966

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 8009-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3976?
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What is the minimum amount of 8009-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3976
  • 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 8009-3976 available by request