3238-0116 Screening compound: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0116 Screening compound: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0116 Screening compound: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0116
7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-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

3238-0116

Molecular Formula

C21H26ClN5O2 (C21 H26 ClN5 O2)

Compound Name

7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2-chlorophenyl)methyl]-8-(35-dimethylpiperidin-1-yl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CC(C)C1)CN1c1nc(N(C)C(N(C)C2=O)=O)c2n1Cc(cccc1)c1Cl

InChI

InChI=1S/C21H26ClN5O2/c1-13-9-14(2)11-26(10-13)20-23-18-17(19(28)25(4)21(29)24(18)3)27(20)12-15-7-5-6-8-16(15)22/h5-8,13-14H,9-12H2,1-4H3

InChI Key

MNPOCBFWNJHZHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04079085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.927

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.82

Polar Surface Area

45.564

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

3238-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3238-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0116?
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What is the minimum amount of 3238-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0116
  • 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 3238-0116 available by request