V025-3009 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

V025-3009 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
V025-3009 Screening compound: 2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3009
2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

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

V025-3009

Molecular Formula

C28H36F3N5O3 (C28 H36 F3 N5 O3)

Compound Name

2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

IUPAC name

2-[25-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide

SMILES

CC(C)CC(C(NC1CCN(C)CC1)=O)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O

InChI

InChI=1S/C28H36F3N5O3/c1-5-12-35-22-16-36(21(15-17(2)3)25(37)32-18-10-13-34(4)14-11-18)26(38)23(22)24(33-27(35)39)19-8-6-7-9-20(19)28(29,30)31/h5-9,17-18,21,24H,1,10-16H2,2-4H3,(H,32,37)(H,33,39)

InChI Key

ROAZJHPZWJOKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936213

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.62

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

3.248

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-3.72

Polar Surface Area

71.693

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with V025-3009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3009?
Check Price and Availability of V025-3009, 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 V025-3009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3009
  • 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 V025-3009 available by request