5629-1145 Screening compound: (2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-1145 Screening compound: (2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-1145 Screening compound: (2Z)-2-[(4-ethoxy-3-methoxyphenyl)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 5629-1145
(2Z)-2-[(4-ethoxy-3-methoxyphenyl)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

5629-1145

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

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

IUPAC name

(2Z)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCOc(ccc(/C=C(/C(N1N=C2C)=O)\SC1=NC2=O)c1)c1OC

InChI

InChI=1S/C16H15N3O4S/c1-4-23-11-6-5-10(7-12(11)22-3)8-13-15(21)19-16(24-13)17-14(20)9(2)18-19/h5-8H,4H2,1-3H3

InChI Key

XESJNGCJJLPWAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-2.41

Polar Surface Area

64.934

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5629-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1145?
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What is the minimum amount of 5629-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1145
  • 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 5629-1145 available by request