V004-2333 Screening compound: ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate

V004-2333 Screening compound: ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate
V004-2333 Screening compound: ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2333
ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate

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

V004-2333

Molecular Formula

C30H42N4O5 (C30 H42 N4 O5)

Compound Name

ethyl 1-{2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[4-(24-dimethylphenyl)-1-ethyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-4-methylpentanoyl}piperidine-4-carboxylate

SMILES

CCN(C(CN1C(CC(C)C)C(N(CC2)CCC2C(OCC)=O)=O)=C(C(c2c(C)cc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C30H42N4O5/c1-7-33-24-17-34(28(36)25(24)26(31-30(33)38)22-10-9-19(5)16-20(22)6)23(15-18(3)4)27(35)32-13-11-21(12-14-32)29(37)39-8-2/h9-10,16,18,21,23,26H,7-8,11-15,17H2,1-6H3,(H,31,38)

InChI Key

SNRSYFSCCJYDKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19805032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.08

Polar Surface Area

81.226

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

V004-2333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-2333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2333?
Check Price and Availability of V004-2333, 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 V004-2333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2333
  • 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 V004-2333 available by request