3527-0137 Screening compound: 6'-(4-methoxyphenyl)-3-methyl-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one

3527-0137 Screening compound: 6'-(4-methoxyphenyl)-3-methyl-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one
3527-0137 Screening compound: 6'-(4-methoxyphenyl)-3-methyl-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3527-0137
6'-(4-methoxyphenyl)-3-methyl-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one

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

3527-0137

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

6'-(4-methoxyphenyl)-3-methyl-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one

IUPAC name

6'-(4-methoxyphenyl)-3-methyl-2346-tetrahydrospiro[[13]thiazolo[32-a][135]triazine-73'-[15]dioxan]-6-one

SMILES

CN(CN12)CN=C1SC1(COC(c(cc3)ccc3OC)OC1)C2=O

InChI

InChI=1S/C16H19N3O4S/c1-18-9-17-15-19(10-18)14(20)16(24-15)7-22-13(23-8-16)11-3-5-12(21-2)6-4-11/h3-6,13H,7-10H2,1-2H3

InChI Key

LRQBRNGJRCZHCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

-1.014

Water Solubility, LogSw

-2.35

Polar Surface Area

54.678

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3527-0137 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3527-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3527-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3527-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3527-0137
  • 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 3527-0137 available by request