3728-1936 Screening compound: 1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3728-1936 Screening compound: 1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3728-1936 Screening compound: 1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3728-1936
1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

3728-1936

Molecular Formula

C16H18N4O2S (C16 H18 N4 O2 S)

Compound Name

1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

137-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1c(CSc2nc(N(C)C(N(C)C3=O)=O)c3n2C)cccc1

InChI

InChI=1S/C16H18N4O2S/c1-10-7-5-6-8-11(10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3

InChI Key

RTOSGFHRWWYITC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.56

Polar Surface Area

44.096

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 3728-1936 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3728-1936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3728-1936
  • 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 3728-1936 available by request