3238-0228 Screening compound: 8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0228 Screening compound: 8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0228 Screening compound: 8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0228
8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-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

3238-0228

Molecular Formula

C25H27BrN6O2 (C25 H27 BrN6 O2)

Compound Name

8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(4-benzylpiperazin-1-yl)-7-[(2-bromophenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cccc3)c3Br)c(N3CCN(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C25H27BrN6O2/c1-28-22-21(23(33)29(2)25(28)34)32(17-19-10-6-7-11-20(19)26)24(27-22)31-14-12-30(13-15-31)16-18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3

InChI Key

IWAYNVOEECVYJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

3.893

Water Solubility, LogSw

-4.31

Polar Surface Area

49.238

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

3238-0228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3238-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0228?
Check Price and Availability of 3238-0228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3238-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0228
  • 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 3238-0228 available by request