3559-4627 Screening compound: 2-[(Z)-1-(2-butoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

3559-4627 Screening compound: 2-[(Z)-1-(2-butoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
3559-4627 Screening compound: 2-[(Z)-1-(2-butoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3559-4627
2-[(Z)-1-(2-butoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-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

3559-4627

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

2-[(Z)-1-(2-butoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(2-butoxyphenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

CCCCOc1c(/C=C2\Sc3nc(cccc4)c4n3C2=O)cccc1

InChI

InChI=1S/C20H18N2O2S/c1-2-3-12-24-17-11-7-4-8-14(17)13-18-19(23)22-16-10-6-5-9-15(16)21-20(22)25-18/h4-11,13H,2-3,12H2,1H3

InChI Key

QZSHPDQSWONTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.32

Polar Surface Area

31.957

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3559-4627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3559-4627?
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What is the minimum amount of 3559-4627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3559-4627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3559-4627
  • 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 3559-4627 available by request