5629-1078 Screening compound: (2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-1078 Screening compound: (2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-1078 Screening compound: (2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-1078
(2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

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

5629-1078

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

(2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2Z)-6-benzyl-2-{[4-(propan-2-yl)phenyl]methylidene}-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CC(C)c1ccc(/C=C(/C(N2N=C3Cc4ccccc4)=O)\SC2=NC3=O)cc1

InChI

InChI=1S/C22H19N3O2S/c1-14(2)17-10-8-16(9-11-17)13-19-21(27)25-22(28-19)23-20(26)18(24-25)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3

InChI Key

POZQTWYQUZJTRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03498471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.38

Polar Surface Area

50.552

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5629-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1078?
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What is the minimum amount of 5629-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1078
  • 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 5629-1078 available by request