5606-3907 Screening compound: (5Z)-5-[(2-butoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5606-3907 Screening compound: (5Z)-5-[(2-butoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5606-3907 Screening compound: (5Z)-5-[(2-butoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-3907
(5Z)-5-[(2-butoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-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

5606-3907

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

(5Z)-5-[(2-butoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(2-butoxyphenyl)methylidene]-2-(23-dihydro-14-benzodioxin-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCOc1c(/C=C2\Sc3nc(C4Oc(cccc5)c5OC4)nn3C2=O)cccc1

InChI

InChI=1S/C23H21N3O4S/c1-2-3-12-28-16-9-5-4-8-15(16)13-20-22(27)26-23(31-20)24-21(25-26)19-14-29-17-10-6-7-11-18(17)30-19/h4-11,13,19H,2-3,12,14H2,1H3/t19-/m0/s1

InChI Key

ACZLHPMWLQDTPF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03713179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.42

Polar Surface Area

60.137

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 5606-3907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-3907?
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What is the minimum amount of 5606-3907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-3907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-3907
  • 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 5606-3907 available by request