M493-0166 Screening compound: N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-yl}sulfanyl)acetamide

M493-0166 Screening compound: N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-yl}sulfanyl)acetamide
M493-0166 Screening compound: N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M493-0166
N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-yl}sulfanyl)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

M493-0166

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-acetylphenyl)-2-({3-ethyl-7-methyl-4-oxo-3H4H-[13]diazino[45-d]pyrimidin-2-yl}sulfanyl)acetamide

SMILES

CCN1C(SCC(Nc(cc2)ccc2C(C)=O)=O)=Nc2nc(C)ncc2C1=O

InChI

InChI=1S/C19H19N5O3S/c1-4-24-18(27)15-9-20-12(3)21-17(15)23-19(24)28-10-16(26)22-14-7-5-13(6-8-14)11(2)25/h5-9H,4,10H2,1-3H3,(H,22,26)

InChI Key

FQVNXFUACATSPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.47

Polar Surface Area

82.025

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

M493-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M493-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M493-0166?
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What is the minimum amount of M493-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M493-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M493-0166
  • 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 M493-0166 available by request