V004-5072 Screening compound: 1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

V004-5072 Screening compound: 1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
V004-5072 Screening compound: 1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5072
1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

V004-5072

Molecular Formula

C32H32N4O5 (C32 H32 N4 O5)

Compound Name

1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

1-methyl-6-[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1C(Cc2ccccc2)C(N2CCOCC2)=O)=C(C(c2cc(Oc3ccccc3)ccc2)N2)C1=O)C2=O

InChI

InChI=1S/C32H32N4O5/c1-34-27-21-36(26(19-22-9-4-2-5-10-22)30(37)35-15-17-40-18-16-35)31(38)28(27)29(33-32(34)39)23-11-8-14-25(20-23)41-24-12-6-3-7-13-24/h2-14,20,26,29H,15-19,21H2,1H3,(H,33,39)

InChI Key

SFFLRSJRZYJJBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.00

Polar Surface Area

74.898

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

V004-5072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V004-5072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5072?
Check Price and Availability of V004-5072, 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 V004-5072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5072
  • 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 V004-5072 available by request