V017-5402 Screening compound: N-cyclopropyl-2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanamide

V017-5402 Screening compound: N-cyclopropyl-2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanamide
V017-5402 Screening compound: N-cyclopropyl-2-{1-ethyl-2,5-dioxo-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 V017-5402
N-cyclopropyl-2-{1-ethyl-2,5-dioxo-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

V017-5402

Molecular Formula

C21H23F3N4O3 (C21 H23 F3 N4 O3)

Compound Name

N-cyclopropyl-2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}propanamide

IUPAC name

N-cyclopropyl-2-{1-ethyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}propanamide

SMILES

CCN(C(CN1C(C)C(NC2CC2)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C21H23F3N4O3/c1-3-27-15-10-28(11(2)18(29)25-12-8-9-12)19(30)16(15)17(26-20(27)31)13-6-4-5-7-14(13)21(22,23)24/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,25,29)(H,26,31)

InChI Key

ZRYLEJANKSTDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19800196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-2.99

Polar Surface Area

68.709

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

V017-5402 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 V017-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5402?
Check Price and Availability of V017-5402, 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 V017-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5402
  • 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 V017-5402 available by request