L111-0077 Screening compound: 7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0077 Screening compound: 7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0077 Screening compound: 7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-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 L111-0077
7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-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

L111-0077

Molecular Formula

C20H18ClN3O5 (C20 H18 ClN3 O5)

Compound Name

7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-chloro-4-{[3-(4-ethoxy-3-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCOc(ccc(-c1noc(CN2c(ccc(Cl)c3)c3OCC2=O)n1)c1)c1OC

InChI

InChI=1S/C20H18ClN3O5/c1-3-27-15-7-4-12(8-17(15)26-2)20-22-18(29-23-20)10-24-14-6-5-13(21)9-16(14)28-11-19(24)25/h4-9H,3,10-11H2,1-2H3

InChI Key

ODVOIOGTVBCSEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

3.929

Water Solubility, LogSw

-4.47

Polar Surface Area

70.252

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L111-0077 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SmartTM Library (51161 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 L111-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0077?
Check Price and Availability of L111-0077, 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 L111-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0077
  • 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 L111-0077 available by request