M447-0358 Screening compound: N~1~-cyclohexyl-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0358 Screening compound: N~1~-cyclohexyl-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0358 Screening compound: N~1~-cyclohexyl-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 M447-0358
N~1~-cyclohexyl-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

M447-0358

Molecular Formula

C16H21N7O2S (C16 H21 N7 O2 S)

Compound Name

N~1~-cyclohexyl-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-cyclohexyl-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(NC4CCCCC4)=O)C3=O)c2s1

InChI

InChI=1S/C16H21N7O2S/c1-21(2)15-19-13-12(26-15)14-20-23(16(25)22(14)9-17-13)8-11(24)18-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,18,24)

InChI Key

CRBAJBIMGMMEAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.781

Water Solubility, LogSw

-2.49

Polar Surface Area

79.085

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

M447-0358 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 M447-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0358?
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What is the minimum amount of M447-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0358
  • 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 M447-0358 available by request