C451-0011 Screening compound: (2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-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

C451-0011 Screening compound: (2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-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
C451-0011 Screening compound: (2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-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 C451-0011
(2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-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

C451-0011

Molecular Formula

C30H22FN5O3S (C30 H22 FN5 O3 S)

Compound Name

(2Z)-2-{[3-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-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(F)c4OC)=O)C3=NC2=O)cc1

InChI

InChI=1S/C30H22FN5O3S/c1-18-8-10-19(11-9-18)14-24-28(37)32-30-36(33-24)29(38)26(40-30)16-21-17-35(22-6-4-3-5-7-22)34-27(21)20-12-13-25(39-2)23(31)15-20/h3-13,15-17H,14H2,1-2H3

InChI Key

YVWJXAHAWDFCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03535619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.6

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

5.329

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.28

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

10.00

References: we are preparing a list of scientific research reports with C451-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0011?
Check Price and Availability of C451-0011, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C451-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0011
  • 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 C451-0011 available by request