M107-0349 Screening compound: N-(4-methanesulfonylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

M107-0349 Screening compound: N-(4-methanesulfonylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
M107-0349 Screening compound: N-(4-methanesulfonylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M107-0349
N-(4-methanesulfonylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

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

M107-0349

Molecular Formula

C18H21N5O5S2 (C18 H21 N5 O5 S2)

Compound Name

N-(4-methanesulfonylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

IUPAC name

N-(4-methanesulfonylphenyl)-3-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide

SMILES

Cn1c(SCCC(Nc(cc2)ccc2S(C)(=O)=O)=O)nc(C(N2C)=O)c1N(C)C2=O

InChI

InChI=1S/C18H21N5O5S2/c1-21-15-14(16(25)23(3)18(26)22(15)2)20-17(21)29-10-9-13(24)19-11-5-7-12(8-6-11)30(4,27)28/h5-8H,9-10H2,1-4H3,(H,19,24)

InChI Key

ORTVHBGQIDKSFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

0.999

Water Solubility, LogSw

-2.39

Polar Surface Area

96.938

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with M107-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M107-0349?
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What is the minimum amount of M107-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M107-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M107-0349
  • 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 M107-0349 available by request