V017-0127 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]acetyl}piperidine-4-carboxylate

V017-0127 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]acetyl}piperidine-4-carboxylate
V017-0127 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]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0127
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]acetyl}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

V017-0127

Molecular Formula

C26H34N4O5 (C26 H34 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]acetyl}piperidine-4-carboxylate

IUPAC name

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

SMILES

CCN(C(CN1CC(N(CC2)CCC2C(OCC)=O)=O)=C(C(c2c(C)cc(C)cc2)N2)C1=O)C2=O

InChI

InChI=1S/C26H34N4O5/c1-5-30-20-14-29(15-21(31)28-11-9-18(10-12-28)25(33)35-6-2)24(32)22(20)23(27-26(30)34)19-8-7-16(3)13-17(19)4/h7-8,13,18,23H,5-6,9-12,14-15H2,1-4H3,(H,27,34)/t23-/m0/s1

InChI Key

USSUDKHCMRVUOF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19805260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.74

Polar Surface Area

81.607

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

V017-0127 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V017-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0127?
Check Price and Availability of V017-0127, 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 V017-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0127
  • 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 V017-0127 available by request