M447-0351 Screening compound: N~1~-(2-chlorobenzyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0351 Screening compound: N~1~-(2-chlorobenzyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0351 Screening compound: N~1~-(2-chlorobenzyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0351
N~1~-(2-chlorobenzyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]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

M447-0351

Molecular Formula

C17H16ClN7O2S (C17 H16 ClN7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1nc(N=CN(C2=NN3CC(NCc(cccc4)c4Cl)=O)C3=O)c2s1

InChI

InChI=1S/C17H16ClN7O2S/c1-23(2)16-21-14-13(28-16)15-22-25(17(27)24(15)9-20-14)8-12(26)19-7-10-5-3-4-6-11(10)18/h3-6,9H,7-8H2,1-2H3,(H,19,26)

InChI Key

SXPRCWOAKHHMLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.12

Polar Surface Area

79.360

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M447-0351 in Drug Discovery

Included in Screening Libraries

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

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 M447-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0351?
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What is the minimum amount of M447-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0351
  • 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 M447-0351 available by request