M447-0412 Screening compound: N-(3,5-difluorophenyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0412 Screening compound: N-(3,5-difluorophenyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0412 Screening compound: N-(3,5-difluorophenyl)-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 M447-0412
N-(3,5-difluorophenyl)-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

M447-0412

Molecular Formula

C16H13F2N7O2S (C16 H13 F2 N7 O2 S)

Compound Name

N-(3,5-difluorophenyl)-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-(35-difluorophenyl)-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(Nc4cc(F)cc(F)c4)=O)C3=O)c2s1

InChI

InChI=1S/C16H13F2N7O2S/c1-23(2)15-21-13-12(28-15)14-22-25(16(27)24(14)7-19-13)6-11(26)20-10-4-8(17)3-9(18)5-10/h3-5,7H,6H2,1-2H3,(H,20,26)

InChI Key

ZDVARWRSPWZPCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.39

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

2.490

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-2.78

Polar Surface Area

78.038

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

M447-0412 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 M447-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0412?
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What is the minimum amount of M447-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0412
  • 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 M447-0412 available by request