V010-3218 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V010-3218 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V010-3218 Screening compound: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3218
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-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

V010-3218

Molecular Formula

C30H27N3O5 (C30 H27 N3 O5)

Compound Name

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

IUPAC name

6-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(benzyloxy)phenyl]-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

C=CCN(C(CN1Cc(cc2)cc3c2OCO3)=C(C(c2cc(OCc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C30H27N3O5/c1-2-13-33-24-17-32(16-21-11-12-25-26(14-21)38-19-37-25)29(34)27(24)28(31-30(33)35)22-9-6-10-23(15-22)36-18-20-7-4-3-5-8-20/h2-12,14-15,28H,1,13,16-19H2,(H,31,35)/t28-/m0/s1

InChI Key

ACPCHRRSSIEULG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19773439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.65

Polar Surface Area

69.058

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V010-3218 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V010-3218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3218?
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What is the minimum amount of V010-3218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3218
  • 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 V010-3218 available by request