6291-0066 Screening compound: (2Z)-2-[(4-hydroxyphenyl)methylidene]-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

6291-0066 Screening compound: (2Z)-2-[(4-hydroxyphenyl)methylidene]-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
6291-0066 Screening compound: (2Z)-2-[(4-hydroxyphenyl)methylidene]-6-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 6291-0066
(2Z)-2-[(4-hydroxyphenyl)methylidene]-6-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

6291-0066

Molecular Formula

C13H9N3O3S (C13 H9 N3 O3 S)

Compound Name

(2Z)-2-[(4-hydroxyphenyl)methylidene]-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2Z)-2-[(4-hydroxyphenyl)methylidene]-6-methyl-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CC1=NN(C(/C(/S2)=C/c(cc3)ccc3O)=O)C2=NC1=O

InChI

InChI=1S/C13H9N3O3S/c1-7-11(18)14-13-16(15-7)12(19)10(20-13)6-8-2-4-9(17)5-3-8/h2-6,17H,1H3

InChI Key

SOYVHBBYNFSBCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.070

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-1.97

Polar Surface Area

67.710

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 6291-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6291-0066?
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What is the minimum amount of 6291-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6291-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6291-0066
  • 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 6291-0066 available by request