P076-0545 Screening compound: 1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine

P076-0545 Screening compound: 1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine
P076-0545 Screening compound: 1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0545
1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine

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

P076-0545

Molecular Formula

C24H28N4O (C24 H28 N4 O)

Compound Name

1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine

IUPAC name

1-ethyl-4-{1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}piperazine

SMILES

CCN(CC1)CCN1C(c1cc(-c2ccncc2)cn1Cc1c(C)cccc1)=O

InChI

InChI=1S/C24H28N4O/c1-3-26-12-14-27(15-13-26)24(29)23-16-22(20-8-10-25-11-9-20)18-28(23)17-21-7-5-4-6-19(21)2/h4-11,16,18H,3,12-15,17H2,1-2H3

InChI Key

XFCNEAXAWJITKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.50

Polar Surface Area

31.063

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P076-0545 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P076-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0545?
Check Price and Availability of P076-0545, 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 P076-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0545
  • 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 P076-0545 available by request