3527-0140 Screening compound: 3-methyl-6'-(pyridin-4-yl)-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one

3527-0140 Screening compound: 3-methyl-6'-(pyridin-4-yl)-2,3,4,6-tetrahydrospiro[[1,3]thiazolo[3,2-a][1,3,5]triazine-7,3'-[1,5]dioxan]-6-one
3527-0140 Screening compound: 3-methyl-6'-(pyridin-4-yl)-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 3527-0140
3-methyl-6'-(pyridin-4-yl)-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

3527-0140

Molecular Formula

C14H16N4O3S (C14 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CN12)CN=C1SC1(COC(c3ccncc3)OC1)C2=O

InChI

InChI=1S/C14H16N4O3S/c1-17-8-16-13-18(9-17)12(19)14(22-13)6-20-11(21-7-14)10-2-4-15-5-3-10/h2-5,11H,6-9H2,1H3

InChI Key

MJRLHOATZILUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.801

Distribution Coefficient, logD

-2.154

Water Solubility, LogSw

-1.38

Polar Surface Area

56.563

Acid Dissociation Constant (pKa)

27.47

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3527-0140 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 3527-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3527-0140
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3527-0140
  • 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 3527-0140 available by request