F532-4414 Screening compound: 3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea

F532-4414 Screening compound: 3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
F532-4414 Screening compound: 3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F532-4414
3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea

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

F532-4414

Molecular Formula

C20H19BrN4O2 (C20 H19 BrN4 O2)

Compound Name

3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea

IUPAC name

3-(2-bromo-4-methylphenyl)-1-[4-(5-cyclobutyl-124-oxadiazol-3-yl)phenyl]urea

SMILES

Cc(cc1)cc(Br)c1NC(Nc(cc1)ccc1-c1noc(C2CCC2)n1)=O

InChI

InChI=1S/C20H19BrN4O2/c1-12-5-10-17(16(21)11-12)23-20(26)22-15-8-6-13(7-9-15)18-24-19(27-25-18)14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,22,23,26)

InChI Key

MRNUFZRQDSFBSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-5.34

Polar Surface Area

63.773

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F532-4414 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F532-4414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F532-4414?
Check Price and Availability of F532-4414, 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 F532-4414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F532-4414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F532-4414
  • 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 F532-4414 available by request