P076-1442 Screening compound: (4-ISOBUTYLPIPERAZINO)[1-PROPYL-4-(4-PYRIDYL)-1H-PYRROL-2-YL]METHANONE

P076-1442 Screening compound: (4-ISOBUTYLPIPERAZINO)[1-PROPYL-4-(4-PYRIDYL)-1H-PYRROL-2-YL]METHANONE
P076-1442 Screening compound: (4-ISOBUTYLPIPERAZINO)[1-PROPYL-4-(4-PYRIDYL)-1H-PYRROL-2-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1442
(4-ISOBUTYLPIPERAZINO)[1-PROPYL-4-(4-PYRIDYL)-1H-PYRROL-2-YL]METHANONE

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

P076-1442

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

(4-ISOBUTYLPIPERAZINO)[1-PROPYL-4-(4-PYRIDYL)-1H-PYRROL-2-YL]METHANONE

IUPAC name

n/a

SMILES

CCCn1c(C(N2CCN(CC(C)C)CC2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C21H30N4O/c1-4-9-25-16-19(18-5-7-22-8-6-18)14-20(25)21(26)24-12-10-23(11-13-24)15-17(2)3/h5-8,14,16-17H,4,9-13,15H2,1-3H3

InChI Key

PWQFZEGGPCIUGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-2.91

Polar Surface Area

31.588

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P076-1442 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 P076-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1442?
Check Price and Availability of P076-1442, 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 P076-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1442
  • 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 P076-1442 available by request