L111-0005 Screening compound: 4-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one

L111-0005 Screening compound: 4-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
L111-0005 Screening compound: 4-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0005
4-{[3-(1,3-benzodioxol-5-yl)-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

L111-0005

Molecular Formula

C18H13N3O5 (C18 H13 N3 O5)

Compound Name

4-{[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

4-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1N(Cc2nc(-c(cc3)cc4c3OCO4)no2)c(cccc2)c2OC1

InChI

InChI=1S/C18H13N3O5/c22-17-9-23-13-4-2-1-3-12(13)21(17)8-16-19-18(20-26-16)11-5-6-14-15(7-11)25-10-24-14/h1-7H,8-10H2

InChI Key

KJZSGBMQXRCFFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.30

Polar Surface Area

72.527

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

L111-0005 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L111-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0005?
Check Price and Availability of L111-0005, 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 L111-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0005
  • 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 L111-0005 available by request