F545-2499 Screening compound: 6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F545-2499 Screening compound: 6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F545-2499 Screening compound: 6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-2499
6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F545-2499

Molecular Formula

C22H19ClN4O5 (C22 H19 ClN4 O5)

Compound Name

6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-4-({3-[3-(morpholine-4-carbonyl)phenyl]-124-oxadiazol-5-yl}methyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c1cccc(-c2noc(CN3c(cc(cc4)Cl)c4OCC3=O)n2)c1)N1CCOCC1

InChI

InChI=1S/C22H19ClN4O5/c23-16-4-5-18-17(11-16)27(20(28)13-31-18)12-19-24-21(25-32-19)14-2-1-3-15(10-14)22(29)26-6-8-30-9-7-26/h1-5,10-11H,6-9,12-13H2

InChI Key

CTWDTGHWNUIISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-3.16

Polar Surface Area

79.968

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F545-2499 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F545-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-2499?
Check Price and Availability of F545-2499, 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 F545-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-2499
  • 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 F545-2499 available by request