5629-2313 Screening compound: (2Z)-6-benzyl-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-2313 Screening compound: (2Z)-6-benzyl-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-2313 Screening compound: (2Z)-6-benzyl-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]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 5629-2313
(2Z)-6-benzyl-2-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]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

5629-2313

Molecular Formula

C30H23N5O3S (C30 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)-c(c(/C=C(/C(N2N=C3Cc4ccccc4)=O)\SC2=NC3=O)c2)nn2-c2ccccc2)c1OC

InChI

InChI=1S/C30H23N5O3S/c1-19-15-21(13-14-25(19)38-2)27-22(18-34(33-27)23-11-7-4-8-12-23)17-26-29(37)35-30(39-26)31-28(36)24(32-35)16-20-9-5-3-6-10-20/h3-15,17-18H,16H2,1-2H3

InChI Key

VOKUJVGDVVNRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03534660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.61

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

5.209

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-5.08

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 5629-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-2313?
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What is the minimum amount of 5629-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-2313
  • 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 5629-2313 available by request