V004-4720 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]-3-phenyl-N,N-dipropylpropanamide

V004-4720 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]-3-phenyl-N,N-dipropylpropanamide
V004-4720 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]-3-phenyl-N,N-dipropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4720
2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N,N-dipropylpropanamide

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

V004-4720

Molecular Formula

C34H38N4O4 (C34 H38 N4 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]-3-phenyl-N,N-dipropylpropanamide

IUPAC name

2-[1-methyl-25-dioxo-4-(3-phenoxyphenyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-3-phenyl-NN-dipropylpropanamide

SMILES

CCCN(CCC)C(C(Cc1ccccc1)N(CC(N1C)=C2C(c3cc(Oc4ccccc4)ccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C34H38N4O4/c1-4-19-37(20-5-2)32(39)28(21-24-13-8-6-9-14-24)38-23-29-30(33(38)40)31(35-34(41)36(29)3)25-15-12-18-27(22-25)42-26-16-10-7-11-17-26/h6-18,22,28,31H,4-5,19-21,23H2,1-3H3,(H,35,41)

InChI Key

JLUOVCKCYAOSLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.48

Polar Surface Area

66.780

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

V004-4720 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 V004-4720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4720?
Check Price and Availability of V004-4720, 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 V004-4720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4720
  • 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 V004-4720 available by request