V004-5059 Screening compound: 2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide

V004-5059 Screening compound: 2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide
V004-5059 Screening compound: 2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5059
2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-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

V004-5059

Molecular Formula

C32H34N4O3 (C32 H34 N4 O3)

Compound Name

2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide

IUPAC name

2-[4-(24-dimethylphenyl)-1-ethyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(4-methylphenyl)-3-phenylpropanamide

SMILES

CCN(C(CN1C(Cc2ccccc2)C(Nc2ccc(C)cc2)=O)=C(C(c2c(C)cc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C32H34N4O3/c1-5-35-27-19-36(31(38)28(27)29(34-32(35)39)25-16-13-21(3)17-22(25)4)26(18-23-9-7-6-8-10-23)30(37)33-24-14-11-20(2)12-15-24/h6-17,26,29H,5,18-19H2,1-4H3,(H,33,37)(H,34,39)

InChI Key

CJZGDKWSZCXUFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.34

Polar Surface Area

66.644

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V004-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5059?
Check Price and Availability of V004-5059, 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 V004-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5059
  • 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 V004-5059 available by request