3559-4738 Screening compound: 2-methoxy-5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 4-methoxybenzoate

3559-4738 Screening compound: 2-methoxy-5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 4-methoxybenzoate
3559-4738 Screening compound: 2-methoxy-5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3559-4738
2-methoxy-5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 4-methoxybenzoate

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

3559-4738

Molecular Formula

C25H18N2O5S (C25 H18 N2 O5 S)

Compound Name

2-methoxy-5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl 4-methoxybenzoate

IUPAC name

2-methoxy-5-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}phenyl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(cc(/C=C1\Sc2nc(cccc3)c3n2C1=O)cc1)c1OC)=O

InChI

InChI=1S/C25H18N2O5S/c1-30-17-10-8-16(9-11-17)24(29)32-21-13-15(7-12-20(21)31-2)14-22-23(28)27-19-6-4-3-5-18(19)26-25(27)33-22/h3-14H,1-2H3

InChI Key

OYZFPEHGKJVDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.83

Polar Surface Area

60.091

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 3559-4738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3559-4738?
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What is the minimum amount of 3559-4738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3559-4738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3559-4738
  • 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 3559-4738 available by request