P101-0859 Screening compound: 1-{5-BENZYL-1-METHYL-1H,4H,5H,6H,7H-PYRROLO[3,2-C]PYRIDINE-2-CARBONYL}-4-(4-FLUOROPHENYL)PIPERAZINE

P101-0859 Screening compound: 1-{5-BENZYL-1-METHYL-1H,4H,5H,6H,7H-PYRROLO[3,2-C]PYRIDINE-2-CARBONYL}-4-(4-FLUOROPHENYL)PIPERAZINE
P101-0859 Screening compound: 1-{5-BENZYL-1-METHYL-1H,4H,5H,6H,7H-PYRROLO[3,2-C]PYRIDINE-2-CARBONYL}-4-(4-FLUOROPHENYL)PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-0859
1-{5-BENZYL-1-METHYL-1H,4H,5H,6H,7H-PYRROLO[3,2-C]PYRIDINE-2-CARBONYL}-4-(4-FLUOROPHENYL)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

P101-0859

Molecular Formula

C26H29FN4O (C26 H29 FN4 O)

Compound Name

1-{5-BENZYL-1-METHYL-1H,4H,5H,6H,7H-PYRROLO[3,2-C]PYRIDINE-2-CARBONYL}-4-(4-FLUOROPHENYL)PIPERAZINE

IUPAC name

n/a

SMILES

Cn1c(C(N(CC2)CCN2c(cc2)ccc2F)=O)cc2c1CCN(Cc1ccccc1)C2

InChI

InChI=1S/C26H29FN4O/c1-28-24-11-12-29(18-20-5-3-2-4-6-20)19-21(24)17-25(28)26(32)31-15-13-30(14-16-31)23-9-7-22(27)8-10-23/h2-10,17H,11-16,18-19H2,1H3

InChI Key

IVHHRHIYHASDCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-3.88

Polar Surface Area

25.559

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

P101-0859 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P101-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-0859?
Check Price and Availability of P101-0859, 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 P101-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-0859
  • 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 P101-0859 available by request