P123-0861 Screening compound: 5-bromo-N-(3-methyl-1-{[4-(2-pyridyl)piperazino]carbonyl}butyl)-2-furamide

P123-0861 Screening compound: 5-bromo-N-(3-methyl-1-{[4-(2-pyridyl)piperazino]carbonyl}butyl)-2-furamide
P123-0861 Screening compound: 5-bromo-N-(3-methyl-1-{[4-(2-pyridyl)piperazino]carbonyl}butyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0861
5-bromo-N-(3-methyl-1-{[4-(2-pyridyl)piperazino]carbonyl}butyl)-2-furamide

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

P123-0861

Molecular Formula

C20H25BrN4O3 (C20 H25 BrN4 O3)

Compound Name

5-bromo-N-(3-methyl-1-{[4-(2-pyridyl)piperazino]carbonyl}butyl)-2-furamide

IUPAC name

5-bromo-N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}furan-2-carboxamide

SMILES

CC(C)CC(C(N(CC1)CCN1c1ncccc1)=O)NC(c(o1)ccc1Br)=O

InChI

InChI=1S/C20H25BrN4O3/c1-14(2)13-15(23-19(26)16-6-7-17(21)28-16)20(27)25-11-9-24(10-12-25)18-5-3-4-8-22-18/h3-8,14-15H,9-13H2,1-2H3,(H,23,26)/t15-/m0/s1

InChI Key

UHYUNJSTNREVBY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27565801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.58

Polar Surface Area

61.900

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

P123-0861 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P123-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0861?
Check Price and Availability of P123-0861, 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 P123-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0861
  • 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 P123-0861 available by request