F545-2118 Screening compound: 5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazole

F545-2118 Screening compound: 5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazole
F545-2118 Screening compound: 5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-2118
5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazole

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

F545-2118

Molecular Formula

C19H16BrN3O2 (C19 H16 BrN3 O2)

Compound Name

5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-(4-bromophenyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]-124-oxadiazole

SMILES

O=C(c1cccc(-c2noc(-c(cc3)ccc3Br)n2)c1)N1CCCC1

InChI

InChI=1S/C19H16BrN3O2/c20-16-8-6-13(7-9-16)18-21-17(22-25-18)14-4-3-5-15(12-14)19(24)23-10-1-2-11-23/h3-9,12H,1-2,10-11H2

InChI Key

LIEMKOIGXUCBKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.78

Polar Surface Area

48.658

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with F545-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-2118?
Check Price and Availability of F545-2118, 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 F545-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-2118
  • 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 F545-2118 available by request