P076-0775 Screening compound: 1-{1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-4-phenylpiperazine

P076-0775 Screening compound: 1-{1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-4-phenylpiperazine
P076-0775 Screening compound: 1-{1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0775
1-{1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carbonyl}-4-phenylpiperazine

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

P076-0775

Molecular Formula

C28H28N4O (C28 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(N(CC3)CCN3c3ccccc3)=O)cc(-c3ccncc3)c2)cc1

InChI

InChI=1S/C28H28N4O/c1-22-7-9-23(10-8-22)20-32-21-25(24-11-13-29-14-12-24)19-27(32)28(33)31-17-15-30(16-18-31)26-5-3-2-4-6-26/h2-14,19,21H,15-18,20H2,1H3

InChI Key

JCYNEEWSWHZSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.33

Polar Surface Area

30.786

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

P076-0775 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P076-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0775?
Check Price and Availability of P076-0775, 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 P076-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0775
  • 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 P076-0775 available by request