V022-7715 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]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

V022-7715 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]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide
V022-7715 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]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7715
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]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

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

V022-7715

Molecular Formula

C31H28F3N5O3 (C31 H28 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]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

IUPAC name

2-[25-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

SMILES

C=CCN(C(CN1C(C(NCCc2ncccc2)=O)c2ccccc2)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C31H28F3N5O3/c1-2-18-38-24-19-39(27(20-10-4-3-5-11-20)28(40)36-17-15-21-12-8-9-16-35-21)29(41)25(24)26(37-30(38)42)22-13-6-7-14-23(22)31(32,33)34/h2-14,16,26-27H,1,15,17-19H2,(H,36,40)(H,37,42)

InChI Key

YJJBSDXYDRMJFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19806502

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.18

Polar Surface Area

77.640

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

V022-7715 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-7715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7715?
Check Price and Availability of V022-7715, 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 V022-7715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7715
  • 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 V022-7715 available by request