3238-0162 Screening compound: 7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0162 Screening compound: 7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0162 Screening compound: 7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0162
7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-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

3238-0162

Molecular Formula

C18H22ClN5O3 (C18 H22 ClN5 O3)

Compound Name

7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(4-chlorophenyl)methyl]-8-[(3-methoxypropyl)amino]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3Cl)c(NCCCOC)n1)C2=O

InChI

InChI=1S/C18H22ClN5O3/c1-22-15-14(16(25)23(2)18(22)26)24(11-12-5-7-13(19)8-6-12)17(21-15)20-9-4-10-27-3/h5-8H,4,9-11H2,1-3H3,(H,20,21)

InChI Key

MDMGZFMKEPTJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02229880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.61

Polar Surface Area

63.302

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3238-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0162?
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What is the minimum amount of 3238-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0162
  • 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 3238-0162 available by request