F532-3172 Screening compound: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea

F532-3172 Screening compound: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
F532-3172 Screening compound: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F532-3172
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-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

F532-3172

Molecular Formula

C18H14ClF3N4O2 (C18 H14 ClF3 N4 O2)

Compound Name

3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea

IUPAC name

3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(5-ethyl-124-oxadiazol-3-yl)phenyl]urea

SMILES

CCc1nc(-c(cc2)ccc2NC(Nc(cc2)cc(C(F)(F)F)c2Cl)=O)no1

InChI

InChI=1S/C18H14ClF3N4O2/c1-2-15-25-16(26-28-15)10-3-5-11(6-4-10)23-17(27)24-12-7-8-14(19)13(9-12)18(20,21)22/h3-9H,2H2,1H3,(H2,23,24,27)

InChI Key

JQSDGUVXJSMGBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.261

Distribution Coefficient, logD

6.257

Water Solubility, LogSw

-6.12

Polar Surface Area

63.884

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F532-3172 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F532-3172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F532-3172?
Check Price and Availability of F532-3172, 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 F532-3172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F532-3172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F532-3172
  • 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 F532-3172 available by request