V025-5054 Screening compound: N-CYCLOPROPYL-3-[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]PROPANAMIDE

V025-5054 Screening compound: N-CYCLOPROPYL-3-[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]PROPANAMIDE
V025-5054 Screening compound: N-CYCLOPROPYL-3-[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]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5054
N-CYCLOPROPYL-3-[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]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

V025-5054

Molecular Formula

C22H23F3N4O3 (C22 H23 F3 N4 O3)

Compound Name

N-CYCLOPROPYL-3-[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]PROPANAMIDE

IUPAC name

n/a

SMILES

C=CCN(C(CN1CCC(NC2CC2)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C22H23F3N4O3/c1-2-10-29-16-12-28(11-9-17(30)26-13-7-8-13)20(31)18(16)19(27-21(29)32)14-5-3-4-6-15(14)22(23,24)25/h2-6,13,19H,1,7-12H2,(H,26,30)(H,27,32)/t19-/m1/s1

InChI Key

KGULBSTYERWPGF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19806297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.97

Polar Surface Area

69.221

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V025-5054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5054?
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What is the minimum amount of V025-5054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5054
  • 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 V025-5054 available by request