P700-0896 Screening compound: N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide

P700-0896 Screening compound: N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide
P700-0896 Screening compound: N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P700-0896
N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide

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

P700-0896

Molecular Formula

C20H17FN6O2 (C20 H17 FN6 O2)

Compound Name

N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-{2-methyl-4-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]-1H-imidazol-1-yl}acetamide

SMILES

Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(NCc(cccc1)c1F)=O

InChI

InChI=1S/C20H17FN6O2/c1-13-24-17(19-25-20(29-26-19)14-6-8-22-9-7-14)11-27(13)12-18(28)23-10-15-4-2-3-5-16(15)21/h2-9,11H,10,12H2,1H3,(H,23,28)

InChI Key

SBKYWJUOBIJYNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.20

Polar Surface Area

77.292

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P700-0896 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P700-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P700-0896?
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What is the minimum amount of P700-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P700-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P700-0896
  • 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 P700-0896 available by request