P076-1426 Screening compound: 1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)piperazine

P076-1426 Screening compound: 1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)piperazine
P076-1426 Screening compound: 1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1426
1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)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

P076-1426

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

CCCn1c(C(N(CC2)CCN2c2ncccc2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C22H25N5O/c1-2-11-27-17-19(18-6-9-23-10-7-18)16-20(27)22(28)26-14-12-25(13-15-26)21-5-3-4-8-24-21/h3-10,16-17H,2,11-15H2,1H3

InChI Key

KGCSJGGGQBXROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.10

Polar Surface Area

39.547

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

P076-1426 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P076-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1426?
Check Price and Availability of P076-1426, 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 P076-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1426
  • 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 P076-1426 available by request