V004-3355 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

V004-3355 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
V004-3355 Screening compound: 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3355
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(4-fluorophenyl)methyl]-4-methylpentanamide

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

V004-3355

Molecular Formula

C28H30F4N4O3 (C28 H30 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN1C(CC(C)C)C(NCc(cc2)ccc2F)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C28H30F4N4O3/c1-4-35-22-15-36(21(13-16(2)3)25(37)33-14-17-9-11-18(29)12-10-17)26(38)23(22)24(34-27(35)39)19-7-5-6-8-20(19)28(30,31)32/h5-12,16,21,24H,4,13-15H2,1-3H3,(H,33,37)(H,34,39)

InChI Key

QXOWOVVPGVFQNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.30

Polar Surface Area

68.237

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V004-3355 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-3355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3355?
Check Price and Availability of V004-3355, 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 V004-3355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3355
  • 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 V004-3355 available by request