5941-1238 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5941-1238 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5941-1238 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-1238
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-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

5941-1238

Molecular Formula

C19H23ClN4O2S (C19 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCSc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc(cccc1)c1Cl

InChI

InChI=1S/C19H23ClN4O2S/c1-12(2)9-10-27-18-21-16-15(17(25)23(4)19(26)22(16)3)24(18)11-13-7-5-6-8-14(13)20/h5-8,12H,9-11H2,1-4H3

InChI Key

IUFAKXRFNCEZNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.20

Polar Surface Area

43.286

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

5941-1238 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5941-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-1238?
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What is the minimum amount of 5941-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-1238
  • 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 5941-1238 available by request