L111-0122 Screening compound: 6-chloro-4-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0122 Screening compound: 6-chloro-4-({3-[4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0122 Screening compound: 6-chloro-4-({3-[4-(propan-2-yloxy)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 L111-0122
6-chloro-4-({3-[4-(propan-2-yloxy)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

L111-0122

Molecular Formula

C20H18ClN3O4 (C20 H18 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(cc1)ccc1-c1noc(CN2c(cc(cc3)Cl)c3OCC2=O)n1

InChI

InChI=1S/C20H18ClN3O4/c1-12(2)27-15-6-3-13(4-7-15)20-22-18(28-23-20)10-24-16-9-14(21)5-8-17(16)26-11-19(24)25/h3-9,12H,10-11H2,1-2H3

InChI Key

ULBNJORSCUHCIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22597858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.57

Polar Surface Area

62.214

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L111-0122 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 L111-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0122?
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What is the minimum amount of L111-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0122
  • 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 L111-0122 available by request