M107-0406 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide

M107-0406 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide
M107-0406 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M107-0406
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)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

M107-0406

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide

IUPAC name

3-{[13-dimethyl-26-dioxo-9-(2-phenylethyl)-2369-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide

SMILES

Cc(cc1)ccc1NC(CCSc(n1CCc2ccccc2)nc(C(N2C)=O)c1N(C)C2=O)=O

InChI

InChI=1S/C25H27N5O3S/c1-17-9-11-19(12-10-17)26-20(31)14-16-34-24-27-21-22(28(2)25(33)29(3)23(21)32)30(24)15-13-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,26,31)

InChI Key

QKZXTVQQEOFROY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.27

Polar Surface Area

66.086

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with M107-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M107-0406?
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What is the minimum amount of M107-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M107-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M107-0406
  • 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 M107-0406 available by request