L111-0757 Screening compound: 4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0757 Screening compound: 4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0757 Screening compound: 4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0757
4-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-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

L111-0757

Molecular Formula

C18H13ClFN3O3 (C18 H13 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(cccc2)c2N(Cc2nc(-c(cc3)cc(Cl)c3F)no2)C1=O

InChI

InChI=1S/C18H13ClFN3O3/c1-10-18(24)23(14-4-2-3-5-15(14)25-10)9-16-21-17(22-26-16)11-6-7-13(20)12(19)8-11/h2-8,10H,9H2,1H3/t10-/m1/s1

InChI Key

CYQXJFIKJOUDHL-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD27232903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.48

Polar Surface Area

54.415

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

-6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

L111-0757 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L111-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0757?
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What is the minimum amount of L111-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0757
  • 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 L111-0757 available by request