V003-9135 Screening compound: N-[2-(dimethylamino)ethyl]-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide

V003-9135 Screening compound: N-[2-(dimethylamino)ethyl]-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide
V003-9135 Screening compound: N-[2-(dimethylamino)ethyl]-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9135
N-[2-(dimethylamino)ethyl]-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide

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

V003-9135

Molecular Formula

C28H32F3N5O3 (C28 H32 F3 N5 O3)

Compound Name

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

IUPAC name

N-[2-(dimethylamino)ethyl]-2-{1-ethyl-25-dioxo-4-[4-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}-3-phenylpropanamide

SMILES

CCN(C(CN1C(Cc2ccccc2)C(NCCN(C)C)=O)=C(C(c2ccc(C(F)(F)F)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C28H32F3N5O3/c1-4-35-22-17-36(21(16-18-8-6-5-7-9-18)25(37)32-14-15-34(2)3)26(38)23(22)24(33-27(35)39)19-10-12-20(13-11-19)28(29,30)31/h5-13,21,24H,4,14-17H2,1-3H3,(H,32,37)(H,33,39)

InChI Key

NJCLYYFHJPNUOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19805043

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

543.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-3.43

Polar Surface Area

71.944

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V003-9135 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-9135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9135?
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What is the minimum amount of V003-9135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9135
  • 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 V003-9135 available by request