3615-0342 Screening compound: 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3615-0342 Screening compound: 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3615-0342 Screening compound: 8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0342
8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-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

3615-0342

Molecular Formula

C22H21ClN4O2S (C22 H21 ClN4 O2 S)

Compound Name

8-{[(4-chlorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[(4-chlorophenyl)methyl]sulfanyl}-13-dimethyl-7-[(2-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1c(Cn2c(SCc(cc3)ccc3Cl)nc(N(C)C(N3C)=O)c2C3=O)cccc1

InChI

InChI=1S/C22H21ClN4O2S/c1-14-6-4-5-7-16(14)12-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-13-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3

InChI Key

OGDKWDAPJWZPNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.537

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.90

Polar Surface Area

43.015

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 3615-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0342?
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What is the minimum amount of 3615-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0342
  • 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 3615-0342 available by request