F387-0260 Screening compound: 6-chloro-4-[(3-{[2-ethyl-4-oxo-3(4H)-quinazolinyl]methyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

F387-0260 Screening compound: 6-chloro-4-[(3-{[2-ethyl-4-oxo-3(4H)-quinazolinyl]methyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
F387-0260 Screening compound: 6-chloro-4-[(3-{[2-ethyl-4-oxo-3(4H)-quinazolinyl]methyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F387-0260
6-chloro-4-[(3-{[2-ethyl-4-oxo-3(4H)-quinazolinyl]methyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-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

F387-0260

Molecular Formula

C22H18ClN5O4 (C22 H18 ClN5 O4)

Compound Name

6-chloro-4-[(3-{[2-ethyl-4-oxo-3(4H)-quinazolinyl]methyl}-1,2,4-oxadiazol-5-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

6-chloro-4-({3-[(2-ethyl-4-oxo-34-dihydroquinazolin-3-yl)methyl]-124-oxadiazol-5-yl}methyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCC(N1Cc2noc(CN3c(cc(cc4)Cl)c4OCC3=O)n2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C22H18ClN5O4/c1-2-19-24-15-6-4-3-5-14(15)22(30)28(19)10-18-25-20(32-26-18)11-27-16-9-13(23)7-8-17(16)31-12-21(27)29/h3-9H,2,10-12H2,1H3

InChI Key

ZUVSTZRULKIVRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.87

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

2.355

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-3.35

Polar Surface Area

81.912

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

F387-0260 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F387-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F387-0260?
Check Price and Availability of F387-0260, 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 F387-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F387-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F387-0260
  • 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 F387-0260 available by request