1189-2238 Screening compound: 7-dodecyl-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1189-2238 Screening compound: 7-dodecyl-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1189-2238 Screening compound: 7-dodecyl-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2238
7-dodecyl-3-methyl-8-(piperidin-1-yl)-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

1189-2238

Molecular Formula

C23H39N5O2 (C23 H39 N5 O2)

Compound Name

7-dodecyl-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-dodecyl-3-methyl-8-(piperidin-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCCCCCCCn1c(N2CCCCC2)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C23H39N5O2/c1-3-4-5-6-7-8-9-10-11-15-18-28-19-20(26(2)23(30)25-21(19)29)24-22(28)27-16-13-12-14-17-27/h3-18H2,1-2H3,(H,25,29,30)

InChI Key

NVGXYPHETQHUNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.954

Distribution Coefficient, logD

6.954

Water Solubility, LogSw

-5.86

Polar Surface Area

54.861

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.30

References: we are preparing a list of scientific research reports with 1189-2238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2238?
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What is the minimum amount of 1189-2238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2238
  • 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 1189-2238 available by request