V002-8677 Screening compound: ethyl 2-[4-(2-{[1,1'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate

V002-8677 Screening compound: ethyl 2-[4-(2-{[1,1'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate
V002-8677 Screening compound: ethyl 2-[4-(2-{[1,1'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8677
ethyl 2-[4-(2-{[1,1'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate

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

V002-8677

Molecular Formula

C23H27NO3 (C23 H27 NO3)

Compound Name

ethyl 2-[4-(2-{[1,1'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate

IUPAC name

ethyl 2-[4-(2-{[11'-biphenyl]-4-yl}ethyl)piperidin-1-yl]-2-oxoacetate

SMILES

CCOC(C(N1CCC(CCc(cc2)ccc2-c2ccccc2)CC1)=O)=O

InChI

InChI=1S/C23H27NO3/c1-2-27-23(26)22(25)24-16-14-19(15-17-24)9-8-18-10-12-21(13-11-18)20-6-4-3-5-7-20/h3-7,10-13,19H,2,8-9,14-17H2,1H3

InChI Key

RNIVOAQPTCQGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.78

Polar Surface Area

37.369

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V002-8677 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-8677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8677?
Check Price and Availability of V002-8677, 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 V002-8677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8677
  • 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 V002-8677 available by request