V009-8880 Screening compound: 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide

V009-8880 Screening compound: 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide
V009-8880 Screening compound: 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8880
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide

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

V009-8880

Molecular Formula

C28H32N4O4 (C28 H32 N4 O4)

Compound Name

2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide

IUPAC name

2-[25-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide

SMILES

CC(C)CNC(C(C)N(CC(N1CC=C)=C2C(c3cc(Oc4ccccc4)ccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C28H32N4O4/c1-5-14-31-23-17-32(19(4)26(33)29-16-18(2)3)27(34)24(23)25(30-28(31)35)20-10-9-13-22(15-20)36-21-11-7-6-8-12-21/h5-13,15,18-19,25H,1,14,16-17H2,2-4H3,(H,29,33)(H,30,35)

InChI Key

QNFGMCRHNHCDAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.02

Polar Surface Area

75.926

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V009-8880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8880?
Check Price and Availability of V009-8880, 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 V009-8880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8880
  • 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 V009-8880 available by request