P891-4111 Screening compound: N1-(3-FLUOROBENZYL)-4-[3-(3-ISOPROPYL-1

P891-4111 Screening compound: N1-(3-FLUOROBENZYL)-4-[3-(3-ISOPROPYL-1
P891-4111 Screening compound: N1-(3-FLUOROBENZYL)-4-[3-(3-ISOPROPYL-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-4111
N1-(3-FLUOROBENZYL)-4-[3-(3-ISOPROPYL-1

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

P891-4111

Molecular Formula

C23H27FN6O2 (C23 H27 FN6 O2)

Compound Name

N1-(3-FLUOROBENZYL)-4-[3-(3-ISOPROPYL-1

IUPAC name

n/a

SMILES

CC(C)c1noc(-c2cccnc2N(CCC2)CCN2C(NCc2cccc(F)c2)=O)n1

InChI

InChI=1S/C23H27FN6O2/c1-16(2)20-27-22(32-28-20)19-8-4-9-25-21(19)29-10-5-11-30(13-12-29)23(31)26-15-17-6-3-7-18(24)14-17/h3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,26,31)

InChI Key

VGFNXRNJJVAKLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.82

Polar Surface Area

71.279

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P891-4111 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P891-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-4111?
Check Price and Availability of P891-4111, 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 P891-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-4111
  • 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 P891-4111 available by request