V004-4730 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-methoxyphenyl)-3-phenylpropanamide

V004-4730 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-methoxyphenyl)-3-phenylpropanamide
V004-4730 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-methoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4730
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-methoxyphenyl)-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

V004-4730

Molecular Formula

C31H29F3N4O4 (C31 H29 F3 N4 O4)

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-methoxyphenyl)-3-phenylpropanamide

IUPAC name

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

SMILES

CCN(C(CN1C(Cc2ccccc2)C(Nc(cc2)ccc2OC)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C31H29F3N4O4/c1-3-37-25-18-38(29(40)26(25)27(36-30(37)41)22-11-7-8-12-23(22)31(32,33)34)24(17-19-9-5-4-6-10-19)28(39)35-20-13-15-21(42-2)16-14-20/h4-16,24,27H,3,17-18H2,1-2H3,(H,35,39)(H,36,41)

InChI Key

GFYROEDXRJPUQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-5.07

Polar Surface Area

74.187

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V004-4730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4730?
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What is the minimum amount of V004-4730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4730
  • 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 V004-4730 available by request