P891-1777 Screening compound: 1-(3,5-difluorobenzoyl)-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepane

P891-1777 Screening compound: 1-(3,5-difluorobenzoyl)-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepane
P891-1777 Screening compound: 1-(3,5-difluorobenzoyl)-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P891-1777
1-(3,5-difluorobenzoyl)-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepane

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

P891-1777

Molecular Formula

C22H23F2N5O2 (C22 H23 F2 N5 O2)

Compound Name

1-(3,5-difluorobenzoyl)-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepane

IUPAC name

1-(35-difluorobenzoyl)-4-[3-(3-propyl-124-oxadiazol-5-yl)pyridin-2-yl]-14-diazepane

SMILES

CCCc1noc(-c2cccnc2N(CCC2)CCN2C(c2cc(F)cc(F)c2)=O)n1

InChI

InChI=1S/C22H23F2N5O2/c1-2-5-19-26-21(31-27-19)18-6-3-7-25-20(18)28-8-4-9-29(11-10-28)22(30)15-12-16(23)14-17(24)13-15/h3,6-7,12-14H,2,4-5,8-11H2,1H3

InChI Key

LGQUAJUNJBTKSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.09

Polar Surface Area

62.127

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P891-1777 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P891-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P891-1777?
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What is the minimum amount of P891-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P891-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P891-1777
  • 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 P891-1777 available by request