4097-0652 Screening compound: 2-{(E)-1-[5-(3,4-dichlorophenyl)-2-furyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

4097-0652 Screening compound: 2-{(E)-1-[5-(3,4-dichlorophenyl)-2-furyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
4097-0652 Screening compound: 2-{(E)-1-[5-(3,4-dichlorophenyl)-2-furyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4097-0652
2-{(E)-1-[5-(3,4-dichlorophenyl)-2-furyl]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

4097-0652

Molecular Formula

C20H10Cl2N2O2S (C20 H10 Cl2 N2 O2 S)

Compound Name

2-{(E)-1-[5-(3,4-dichlorophenyl)-2-furyl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-{[5-(34-dichlorophenyl)furan-2-yl]methylidene}-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

O=C(/C(/S1)=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)n2c1nc1c2cccc1

InChI

InChI=1S/C20H10Cl2N2O2S/c21-13-7-5-11(9-14(13)22)17-8-6-12(26-17)10-18-19(25)24-16-4-2-1-3-15(16)23-20(24)27-18/h1-10H

InChI Key

WTFFRDJLKHXGNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01061862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.075

Distribution Coefficient, logD

6.075

Water Solubility, LogSw

-6.37

Polar Surface Area

32.022

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4097-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4097-0652?
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What is the minimum amount of 4097-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4097-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4097-0652
  • 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 4097-0652 available by request