P891-2010 Screening compound: 1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

P891-2010 Screening compound: 1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
P891-2010 Screening compound: 1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-2010
1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

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

P891-2010

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one

IUPAC name

1-{4-[3-(3-cyclopropyl-124-oxadiazol-5-yl)pyridin-2-yl]-14-diazepan-1-yl}-2-phenylbutan-1-one

SMILES

CCC(C(N(CCC1)CCN1c1ncccc1-c1nc(C2CC2)no1)=O)c1ccccc1

InChI

InChI=1S/C25H29N5O2/c1-2-20(18-8-4-3-5-9-18)25(31)30-15-7-14-29(16-17-30)23-21(10-6-13-26-23)24-27-22(28-32-24)19-11-12-19/h3-6,8-10,13,19-20H,2,7,11-12,14-17H2,1H3/t20-/m1/s1

InChI Key

BOWIVMBEKKSLMI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29026924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.34

Polar Surface Area

61.388

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

P891-2010 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P891-2010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-2010?
Check Price and Availability of P891-2010, 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 P891-2010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-2010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-2010
  • 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 P891-2010 available by request