V015-6051 Screening compound: 1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V015-6051 Screening compound: 1-ethyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V015-6051 Screening compound: 1-ethyl-6-[2-(4-ethylpiperazin-1-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 V015-6051
1-ethyl-6-[2-(4-ethylpiperazin-1-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

V015-6051

Molecular Formula

C23H28F3N5O3 (C23 H28 F3 N5 O3)

Compound Name

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

SMILES

CCN(CC1)CCN1C(CN(CC(N1CC)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C23H28F3N5O3/c1-3-28-9-11-29(12-10-28)18(32)14-30-13-17-19(21(30)33)20(27-22(34)31(17)4-2)15-7-5-6-8-16(15)23(24,25)26/h5-8,20H,3-4,9-14H2,1-2H3,(H,27,34)/t20-/m1/s1

InChI Key

MBSQNBRUWNDWEB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19805131

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.521

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-2.36

Polar Surface Area

64.390

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

V015-6051 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-6051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-6051?
Check Price and Availability of V015-6051, 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 V015-6051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-6051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-6051
  • 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 V015-6051 available by request