1859-0598 Screening compound: 7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1859-0598 Screening compound: 7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1859-0598 Screening compound: 7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1859-0598
7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-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

1859-0598

Molecular Formula

C25H42N4O2S (C25 H42 N4 O2 S)

Compound Name

7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-hexadecyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCCCCCCCCCCCn1c(SCC=C)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C25H42N4O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-21-22(26-25(29)32-20-5-2)28(3)24(31)27-23(21)30/h5H,2,4,6-20H2,1,3H3,(H,27,30,31)

InChI Key

FTCHAJCMGDUCJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.037

Distribution Coefficient, logD

9.037

Water Solubility, LogSw

-5.88

Polar Surface Area

52.450

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with 1859-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1859-0598?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1859-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1859-0598
  • 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 1859-0598 available by request