M447-0120 Screening compound: N~1~-[4-(methylsulfonyl)phenyl]-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0120 Screening compound: N~1~-[4-(methylsulfonyl)phenyl]-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0120 Screening compound: N~1~-[4-(methylsulfonyl)phenyl]-2-[3-oxo-8-(1-pyrrolidinyl)[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 M447-0120
N~1~-[4-(methylsulfonyl)phenyl]-2-[3-oxo-8-(1-pyrrolidinyl)[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

M447-0120

Molecular Formula

C19H19N7O4S2 (C19 H19 N7 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(c(cc1)ccc1NC(CN1N=C(c(sc(N2CCCC2)n2)c2N=C2)N2C1=O)=O)(=O)=O

InChI

InChI=1S/C19H19N7O4S2/c1-32(29,30)13-6-4-12(5-7-13)21-14(27)10-26-19(28)25-11-20-16-15(17(25)23-26)31-18(22-16)24-8-2-3-9-24/h4-7,11H,2-3,8-10H2,1H3,(H,21,27)

InChI Key

SYBFPPYWFZCMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.59

Polar Surface Area

108.800

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with M447-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0120?
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What is the minimum amount of M447-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0120
  • 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 M447-0120 available by request