M107-0394 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)propanamide

M107-0394 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)propanamide
M107-0394 Screening compound: 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M107-0394
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)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

M107-0394

Molecular Formula

C26H29N5O3S (C26 H29 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-(2-phenylethyl)propanamide

IUPAC name

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

SMILES

CN(c(n1CCc2ccccc2)c(C(N2C)=O)nc1SCCC(NCCc1ccccc1)=O)C2=O

InChI

InChI=1S/C26H29N5O3S/c1-29-23-22(24(33)30(2)26(29)34)28-25(31(23)17-14-20-11-7-4-8-12-20)35-18-15-21(32)27-16-13-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3,(H,27,32)

InChI Key

FHOFGTHSELESJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.80

Polar Surface Area

67.250

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

M107-0394 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M107-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M107-0394?
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What is the minimum amount of M107-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M107-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M107-0394
  • 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 M107-0394 available by request