V025-8802 Screening compound: ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate

V025-8802 Screening compound: ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate
V025-8802 Screening compound: ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8802
ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate

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

V025-8802

Molecular Formula

C28H30N6O3 (C28 H30 N6 O3)

Compound Name

ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate

IUPAC name

ethyl 4-(4-{6-benzyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}piperazin-1-yl)-4-oxobutanoate

SMILES

CCOC(CCC(N(CC1)CCN1c1nc(Cc2ccccc2)nc2c1cnn2-c1ccccc1)=O)=O

InChI

InChI=1S/C28H30N6O3/c1-2-37-26(36)14-13-25(35)32-15-17-33(18-16-32)27-23-20-29-34(22-11-7-4-8-12-22)28(23)31-24(30-27)19-21-9-5-3-6-10-21/h3-12,20H,2,13-19H2,1H3

InChI Key

WBRFFIIYWYWWKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853510

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-3.99

Polar Surface Area

73.700

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V025-8802 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V025-8802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8802?
Check Price and Availability of V025-8802, 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 V025-8802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8802
  • 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 V025-8802 available by request