V006-8249 Screening compound: 4-[3-(benzyloxy)phenyl]-1-methyl-6-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V006-8249 Screening compound: 4-[3-(benzyloxy)phenyl]-1-methyl-6-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V006-8249 Screening compound: 4-[3-(benzyloxy)phenyl]-1-methyl-6-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8249
4-[3-(benzyloxy)phenyl]-1-methyl-6-[2-(pyridin-2-yl)ethyl]-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

V006-8249

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

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

IUPAC name

4-[3-(benzyloxy)phenyl]-1-methyl-6-[2-(pyridin-2-yl)ethyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1CCc2ncccc2)=C(C(c2cc(OCc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C27H26N4O3/c1-30-23-17-31(15-13-21-11-5-6-14-28-21)26(32)24(23)25(29-27(30)33)20-10-7-12-22(16-20)34-18-19-8-3-2-4-9-19/h2-12,14,16,25H,13,15,17-18H2,1H3,(H,29,33)/t25-/m0/s1

InChI Key

XRBBXWKESBFINL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19773780

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.972

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.42

Polar Surface Area

61.251

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V006-8249 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-8249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8249?
Check Price and Availability of V006-8249, 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 V006-8249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8249
  • 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 V006-8249 available by request