8008-5112 Screening compound: 2-((E)-1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

8008-5112 Screening compound: 2-((E)-1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
8008-5112 Screening compound: 2-((E)-1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5112
2-((E)-1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-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

8008-5112

Molecular Formula

C25H18Cl2N2O2S (C25 H18 Cl2 N2 O2 S)

Compound Name

2-((E)-1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene)-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-({4-[(24-dichlorophenyl)methoxy]phenyl}methylidene)-1011-dimethyl-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

Cc(c(C)c1)cc(n2C3=O)c1nc2S/C3=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C25H18Cl2N2O2S/c1-14-9-21-22(10-15(14)2)29-24(30)23(32-25(29)28-21)11-16-3-7-19(8-4-16)31-13-17-5-6-18(26)12-20(17)27/h3-12H,13H2,1-2H3

InChI Key

SYTASLCRYLIMCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01065985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.311

Distribution Coefficient, logD

7.311

Water Solubility, LogSw

-6.49

Polar Surface Area

31.680

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8008-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5112
  • 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 8008-5112 available by request