P700-3412 Screening compound: N-(2-fluoro-4-methylphenyl)-2-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1H-imidazol-1-yl}acetamide

P700-3412 Screening compound: N-(2-fluoro-4-methylphenyl)-2-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1H-imidazol-1-yl}acetamide
P700-3412 Screening compound: N-(2-fluoro-4-methylphenyl)-2-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1H-imidazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P700-3412
N-(2-fluoro-4-methylphenyl)-2-{4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-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

P700-3412

Molecular Formula

C21H17F2N5O2 (C21 H17 F2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(-c2noc(-c(cc3)ccc3F)n2)cn1CC(Nc(ccc(C)c1)c1F)=O

InChI

InChI=1S/C21H17F2N5O2/c1-12-3-8-17(16(23)9-12)25-19(29)11-28-10-18(24-13(28)2)20-26-21(30-27-20)14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H,25,29)

InChI Key

VHJGXBNQEVPKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-3.80

Polar Surface Area

65.843

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P700-3412 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P700-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P700-3412?
Check Price and Availability of P700-3412, 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 P700-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P700-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P700-3412
  • 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 P700-3412 available by request