M447-0350 Screening compound: 2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(4-methoxybenzyl)acetamide

M447-0350 Screening compound: 2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(4-methoxybenzyl)acetamide
M447-0350 Screening compound: 2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0350
2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(4-methoxybenzyl)acetamide

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

M447-0350

Molecular Formula

C18H19N7O3S (C18 H19 N7 O3 S)

Compound Name

2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(4-methoxybenzyl)acetamide

IUPAC name

2-[11-(dimethylamino)-5-oxo-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CN(C)c1nc(N=CN(C2=NN3CC(NCc(cc4)ccc4OC)=O)C3=O)c2s1

InChI

InChI=1S/C18H19N7O3S/c1-23(2)17-21-15-14(29-17)16-22-25(18(27)24(16)10-20-15)9-13(26)19-8-11-4-6-12(28-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,26)

InChI Key

PHQXNDIWXITPIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.588

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.47

Polar Surface Area

86.904

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M447-0350 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M447-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0350?
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What is the minimum amount of M447-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0350
  • 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 M447-0350 available by request