V004-5084 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

V004-5084 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide
V004-5084 Screening compound: 2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5084
2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

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

V004-5084

Molecular Formula

C34H31N5O4 (C34 H31 N5 O4)

Compound Name

2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

IUPAC name

2-[1-methyl-25-dioxo-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-2-phenyl-N-[2-(pyridin-2-yl)ethyl]acetamide

SMILES

CN(C(CN1C(C(NCCc2ncccc2)=O)c2ccccc2)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C34H31N5O4/c1-38-28-22-39(31(23-11-4-2-5-12-23)32(40)36-20-18-25-14-8-9-19-35-25)33(41)29(28)30(37-34(38)42)24-13-10-17-27(21-24)43-26-15-6-3-7-16-26/h2-17,19,21,30-31H,18,20,22H2,1H3,(H,36,40)(H,37,42)

InChI Key

LCFSLBSFUGHYJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19810529

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

573.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.10

Polar Surface Area

84.175

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

V004-5084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-5084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5084?
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What is the minimum amount of V004-5084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5084
  • 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 V004-5084 available by request