M447-0338 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

M447-0338 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
M447-0338 Screening compound: N~1~-(3-chloro-4-methylphenyl)-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 M447-0338
N~1~-(3-chloro-4-methylphenyl)-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

M447-0338

Molecular Formula

C17H16ClN7O2S (C17 H16 ClN7 O2 S)

Compound Name

N~1~-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-2-[11-(dimethylamino)-5-oxo-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)2710-tetraen-4-yl]acetamide

SMILES

Cc(ccc(NC(CN1N=C(c(sc(N(C)C)n2)c2N=C2)N2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C17H16ClN7O2S/c1-9-4-5-10(6-11(9)18)20-12(26)7-25-17(27)24-8-19-14-13(15(24)22-25)28-16(21-14)23(2)3/h4-6,8H,7H2,1-3H3,(H,20,26)

InChI Key

HLSVVRXNAMGRRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.88

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

3.418

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.67

Polar Surface Area

78.038

Acid Dissociation Constant (pKa)

11.33

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 M447-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M447-0338?
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What is the minimum amount of M447-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M447-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M447-0338
  • 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 M447-0338 available by request