M447-0299 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~-(3-fluorophenyl)acetamide

M447-0299 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~-(3-fluorophenyl)acetamide
M447-0299 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~-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M447-0299
2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N~1~-(3-fluorophenyl)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

M447-0299

Molecular Formula

C16H14FN7O2S (C16 H14 FN7 O2 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~-(3-fluorophenyl)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-(3-fluorophenyl)acetamide

SMILES

CN(C)c1nc(N=CN(C2=NN3CC(Nc4cc(F)ccc4)=O)C3=O)c2s1

InChI

InChI=1S/C16H14FN7O2S/c1-22(2)15-20-13-12(27-15)14-21-24(16(26)23(14)8-18-13)7-11(25)19-10-5-3-4-9(17)6-10/h3-6,8H,7H2,1-2H3,(H,19,25)

InChI Key

NKSOOHXOLQWTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

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

2.181

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.96

Polar Surface Area

78.038

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

M447-0299 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 M447-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0299?
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What is the minimum amount of M447-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0299
  • 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 M447-0299 available by request