5339-0083 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5339-0083 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5339-0083 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5339-0083
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-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

5339-0083

Molecular Formula

C18H22ClN5O2 (C18 H22 ClN5 O2)

Compound Name

7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(3-chlorophenyl)methyl]-13-dimethyl-8-[(2-methylpropyl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CNc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1cccc(Cl)c1

InChI

InChI=1S/C18H22ClN5O2/c1-11(2)9-20-17-21-15-14(16(25)23(4)18(26)22(15)3)24(17)10-12-6-5-7-13(19)8-12/h5-8,11H,9-10H2,1-4H3,(H,20,21)

InChI Key

RYUXVRXLMXXQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01553892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.35

Polar Surface Area

55.118

Acid Dissociation Constant (pKa)

20.91

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 5339-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5339-0083?
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What is the minimum amount of 5339-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5339-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5339-0083
  • 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 5339-0083 available by request