V004-3338 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}acetamide

V004-3338 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}acetamide
V004-3338 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3338
N-benzyl-N-[2-(dimethylamino)ethyl]-2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}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

V004-3338

Molecular Formula

C27H30F3N5O3 (C27 H30 F3 N5 O3)

Compound Name

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

IUPAC name

N-benzyl-N-[2-(dimethylamino)ethyl]-2-{1-methyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}acetamide

SMILES

CN(C)CCN(Cc1ccccc1)C(CN(CC(N1C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C27H30F3N5O3/c1-32(2)13-14-34(15-18-9-5-4-6-10-18)22(36)17-35-16-21-23(25(35)37)24(31-26(38)33(21)3)19-11-7-8-12-20(19)27(28,29)30/h4-12,24H,13-17H2,1-3H3,(H,31,38)/t24-/m1/s1

InChI Key

WJVZBUCNGVJCSU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19936463

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-3.08

Polar Surface Area

64.302

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V004-3338 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-3338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3338?
Check Price and Availability of V004-3338, 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 V004-3338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3338
  • 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 V004-3338 available by request