V023-2044 Screening compound: ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]acetyl}piperidine-4-carboxylate

V023-2044 Screening compound: ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]acetyl}piperidine-4-carboxylate
V023-2044 Screening compound: ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-2044
ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]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

V023-2044

Molecular Formula

C30H31FN2O4 (C30 H31 FN2 O4)

Compound Name

ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]acetyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[4-(N-benzyl3-fluorobenzamido)phenyl]acetyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(Cc(cc1)ccc1N(Cc1ccccc1)C(c1cccc(F)c1)=O)=O)=O

InChI

InChI=1S/C30H31FN2O4/c1-2-37-30(36)24-15-17-32(18-16-24)28(34)19-22-11-13-27(14-12-22)33(21-23-7-4-3-5-8-23)29(35)25-9-6-10-26(31)20-25/h3-14,20,24H,2,15-19,21H2,1H3

InChI Key

VYNWVFBHSQJYIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.63

Polar Surface Area

52.464

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

V023-2044 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V023-2044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-2044?
Check Price and Availability of V023-2044, 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 V023-2044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-2044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-2044
  • 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 V023-2044 available by request