C451-0015 Screening compound: (2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0015 Screening compound: (2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0015 Screening compound: (2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)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 C451-0015
(2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)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

C451-0015

Molecular Formula

C31H25N5O3S (C31 H25 N5 O3 S)

Compound Name

(2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2Z)-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methylphenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

Cc1ccc(CC2=NN(C(/C(/S3)=C/c4cn(-c5ccccc5)nc4-c(cc4)cc(C)c4OC)=O)C3=NC2=O)cc1

InChI

InChI=1S/C31H25N5O3S/c1-19-9-11-21(12-10-19)16-25-29(37)32-31-36(33-25)30(38)27(40-31)17-23-18-35(24-7-5-4-6-8-24)34-28(23)22-13-14-26(39-3)20(2)15-22/h4-15,17-18H,16H2,1-3H3

InChI Key

AEEOIXBIASVUPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03535623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.633

Distribution Coefficient, logD

5.633

Water Solubility, LogSw

-5.46

Polar Surface Area

72.815

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with C451-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0015?
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What is the minimum amount of C451-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0015
  • 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 C451-0015 available by request