M447-0326 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0326 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0326 Screening compound: N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-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 M447-0326
N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-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

M447-0326

Molecular Formula

C17H13ClF3N7O2S (C17 H13 ClF3 N7 O2 S)

Compound Name

N~1~-[4-chloro-2-(trifluoromethyl)phenyl]-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-[4-chloro-2-(trifluoromethyl)phenyl]-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(Nc(cc4)c(C(F)(F)F)cc4Cl)=O)C3=O)c2s1

InChI

InChI=1S/C17H13ClF3N7O2S/c1-26(2)15-24-13-12(31-15)14-25-28(16(30)27(14)7-22-13)6-11(29)23-10-4-3-8(18)5-9(10)17(19,20)21/h3-5,7H,6H2,1-2H3,(H,23,29)

InChI Key

HHGHFIWLTXXWGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.85

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

3.333

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.76

Polar Surface Area

77.340

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with M447-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0326?
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What is the minimum amount of M447-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0326
  • 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 M447-0326 available by request