V015-0632 Screening compound: 6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V015-0632 Screening compound: 6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V015-0632 Screening compound: 6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0632
6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-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

V015-0632

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-benzyl-4-[3-(benzyloxy)phenyl]-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1Cc2ccccc2)=C(C(c2cc(OCc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C27H25N3O3/c1-29-23-17-30(16-19-9-4-2-5-10-19)26(31)24(23)25(28-27(29)32)21-13-8-14-22(15-21)33-18-20-11-6-3-7-12-20/h2-15,25H,16-18H2,1H3,(H,28,32)/t25-/m0/s1

InChI Key

BEMYNCYUNIVQPK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19773467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.01

Polar Surface Area

51.730

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

V015-0632 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V015-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0632?
Check Price and Availability of V015-0632, 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 V015-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0632
  • 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 V015-0632 available by request