C451-0168 Screening compound: (2E)-2-{[4-(propan-2-yl)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0168 Screening compound: (2E)-2-{[4-(propan-2-yl)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0168 Screening compound: (2E)-2-{[4-(propan-2-yl)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-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 C451-0168
(2E)-2-{[4-(propan-2-yl)phenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-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

C451-0168

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CC2=NN(C(/C(/S3)=C\c4ccc(C(C)C)cc4)=O)C3=NC2=O)cc1

InChI

InChI=1S/C25H25N3O3S/c1-4-13-31-20-11-7-17(8-12-20)14-21-23(29)26-25-28(27-21)24(30)22(32-25)15-18-5-9-19(10-6-18)16(2)3/h5-12,15-16H,4,13-14H2,1-3H3

InChI Key

MXLPTCLCHYYNED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.40

Polar Surface Area

57.970

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C451-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C451-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0168
  • 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 C451-0168 available by request