V002-9899 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide

V002-9899 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide
V002-9899 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9899
2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide

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

V002-9899

Molecular Formula

C36H34N4O5 (C36 H34 N4 O5)

Compound Name

2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide

IUPAC name

2-[1-methyl-25-dioxo-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)-3-phenylpropanamide

SMILES

CN(C(CN1C(Cc2ccccc2)C(NCCOc2ccccc2)=O)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C36H34N4O5/c1-39-31-24-40(30(22-25-12-5-2-6-13-25)34(41)37-20-21-44-27-15-7-3-8-16-27)35(42)32(31)33(38-36(39)43)26-14-11-19-29(23-26)45-28-17-9-4-10-18-28/h2-19,23,30,33H,20-22,24H2,1H3,(H,37,41)(H,38,43)

InChI Key

BWGOFFHVMYJKSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.46

Polar Surface Area

82.014

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with V002-9899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9899?
Check Price and Availability of V002-9899, 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 V002-9899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9899
  • 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 V002-9899 available by request