3238-0011 Screening compound: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3238-0011 Screening compound: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3238-0011 Screening compound: 7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3238-0011
7-benzyl-8-(4-ethylpiperazin-1-yl)-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

3238-0011

Molecular Formula

C20H26N6O2 (C20 H26 N6 O2)

Compound Name

7-benzyl-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-8-(4-ethylpiperazin-1-yl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(CC1)CCN1c1nc(N(C)C(N(C)C2=O)=O)c2n1Cc1ccccc1

InChI

InChI=1S/C20H26N6O2/c1-4-24-10-12-25(13-11-24)19-21-17-16(18(27)23(3)20(28)22(17)2)26(19)14-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3

InChI Key

BJXHMFYUTFTRIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05701332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

0.946

Water Solubility, LogSw

-2.67

Polar Surface Area

49.234

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

3238-0011 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3238-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3238-0011?
Check Price and Availability of 3238-0011, 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 3238-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3238-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3238-0011
  • 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 3238-0011 available by request