5629-1006 Screening compound: (5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-1006 Screening compound: (5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-1006 Screening compound: (5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-1006
(5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-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

5629-1006

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

(5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C)COc(ccc(/C=C1\Sc2nc(-c3ccccc3)nn2C1=O)c1)c1OC

InChI

InChI=1S/C22H21N3O3S/c1-14(2)13-28-17-10-9-15(11-18(17)27-3)12-19-21(26)25-22(29-19)23-20(24-25)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3

InChI Key

YBLCYNWCVAMCAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-5.09

Polar Surface Area

52.412

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 5629-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1006?
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What is the minimum amount of 5629-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1006
  • 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 5629-1006 available by request