V017-5369 Screening compound: 1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V017-5369 Screening compound: 1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V017-5369 Screening compound: 1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5369
1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V017-5369

Molecular Formula

C21H23F3N4O4 (C21 H23 F3 N4 O4)

Compound Name

1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

1-ethyl-6-[2-(morpholin-4-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CCN(C(CN1CC(N2CCOCC2)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C21H23F3N4O4/c1-2-28-15-11-27(12-16(29)26-7-9-32-10-8-26)19(30)17(15)18(25-20(28)31)13-5-3-4-6-14(13)21(22,23)24/h3-6,18H,2,7-12H2,1H3,(H,25,31)/t18-/m1/s1

InChI Key

HXJYVXGZLJWNDG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19805134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.200

Distribution Coefficient, logD

1.125

Water Solubility, LogSw

-2.33

Polar Surface Area

68.762

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V017-5369 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V017-5369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5369?
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What is the minimum amount of V017-5369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5369
  • 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 V017-5369 available by request