3714-0190 Screening compound: 2-((E)-1-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

3714-0190 Screening compound: 2-((E)-1-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
3714-0190 Screening compound: 2-((E)-1-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3714-0190
2-((E)-1-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}methylidene)[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

3714-0190

Molecular Formula

C24H17BrN2O2S (C24 H17 BrN2 O2 S)

Compound Name

2-((E)-1-{5-bromo-2-[(4-methylbenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-({5-bromo-2-[(4-methylphenyl)methoxy]phenyl}methylidene)-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

Cc1ccc(COc(cc2)c(/C=C3/Sc4nc(cccc5)c5n4C3=O)cc2Br)cc1

InChI

InChI=1S/C24H17BrN2O2S/c1-15-6-8-16(9-7-15)14-29-21-11-10-18(25)12-17(21)13-22-23(28)27-20-5-3-2-4-19(20)26-24(27)30-22/h2-13H,14H2,1H3

InChI Key

JIAUNDCAVWMITD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.38

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

6.575

Distribution Coefficient, logD

6.575

Water Solubility, LogSw

-5.65

Polar Surface Area

31.767

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3714-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3714-0190?
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What is the minimum amount of 3714-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3714-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3714-0190
  • 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 3714-0190 available by request