F532-0449 Screening compound: 3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea

F532-0449 Screening compound: 3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea
F532-0449 Screening compound: 3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F532-0449
3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-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

F532-0449

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea

IUPAC name

3-(butan-2-yl)-1-{4-[5-(2-oxo-2H-chromen-3-yl)-124-oxadiazol-3-yl]phenyl}urea

SMILES

CCC(C)NC(Nc(cc1)ccc1-c1noc(C2=Cc(cccc3)c3OC2=O)n1)=O

InChI

InChI=1S/C22H20N4O4/c1-3-13(2)23-22(28)24-16-10-8-14(9-11-16)19-25-20(30-26-19)17-12-15-6-4-5-7-18(15)29-21(17)27/h4-13H,3H2,1-2H3,(H2,23,24,28)/t13-/m0/s1

InChI Key

UPXCSFXCZPFCLV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14958268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.27

Polar Surface Area

85.904

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

F532-0449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F532-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F532-0449?
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What is the minimum amount of F532-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F532-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F532-0449
  • 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 F532-0449 available by request