0908-0078 Screening compound: ETHYL 2,6-DIMETHYL-4-(4-PHENYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLATE

0908-0078 Screening compound: ETHYL 2,6-DIMETHYL-4-(4-PHENYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLATE
0908-0078 Screening compound: ETHYL 2,6-DIMETHYL-4-(4-PHENYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0908-0078
ETHYL 2,6-DIMETHYL-4-(4-PHENYLPIPERAZIN-1-YL)PYRIDINE-3-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

0908-0078

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

ETHYL 2,6-DIMETHYL-4-(4-PHENYLPIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLATE

IUPAC name

4-[3-(ethoxycarbonyl)-26-dimethylpyridin-4-yl]-1-phenylpiperazin-1-ium

SMILES

c1(c(N2CCN(CC2)c2ccccc2)cc(nc1C)C)C(=O)OCC

InChI

InChI=1S/C20H25N3O2/c1-4-25-20(24)19-16(3)21-15(2)14-18(19)23-12-10-22(11-13-23)17-8-6-5-7-9-17/h5-9,14H,4,10-13H2,1-3H3/p+1

InChI Key

QFZWZXMMDOHCQF-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.86

Polar Surface Area

36.403

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0908-0078 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0908-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0908-0078?
Check Price and Availability of 0908-0078, 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 0908-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0908-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0908-0078
  • 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 0908-0078 available by request