V017-4799 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-2-phenylacetamide

V017-4799 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-2-phenylacetamide
V017-4799 Screening compound: 2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4799
2-[1-ethyl-4-(4-methylphenyl)-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)-2-phenylacetamide

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

V017-4799

Molecular Formula

C27H32N4O3 (C27 H32 N4 O3)

Compound Name

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

IUPAC name

2-[1-ethyl-4-(4-methylphenyl)-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-N-(2-methylpropyl)-2-phenylacetamide

SMILES

CCN(C(CN1C(C(NCC(C)C)=O)c2ccccc2)=C(C(c2ccc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C27H32N4O3/c1-5-30-21-16-31(24(20-9-7-6-8-10-20)25(32)28-15-17(2)3)26(33)22(21)23(29-27(30)34)19-13-11-18(4)12-14-19/h6-14,17,23-24H,5,15-16H2,1-4H3,(H,28,32)(H,29,34)

InChI Key

GKBGDNKIJPIKJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19805019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

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

3.864

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-3.83

Polar Surface Area

68.273

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V017-4799 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-4799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4799?
Check Price and Availability of V017-4799, 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 V017-4799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4799
  • 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 V017-4799 available by request