L111-0423 Screening compound: 2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

L111-0423 Screening compound: 2-methyl-4-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
L111-0423 Screening compound: 2-methyl-4-({3-[4-(methylsulfanyl)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 L111-0423
2-methyl-4-({3-[4-(methylsulfanyl)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

L111-0423

Molecular Formula

C19H17N3O3S (C19 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(cccc2)c2N(Cc2nc(-c(cc3)ccc3SC)no2)C1=O

InChI

InChI=1S/C19H17N3O3S/c1-12-19(23)22(15-5-3-4-6-16(15)24-12)11-17-20-18(21-25-17)13-7-9-14(26-2)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1

InChI Key

NMZPRBOCAJPFLK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27232897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.40

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

21.10

L111-0423 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 L111-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0423?
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What is the minimum amount of L111-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0423
  • 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 L111-0423 available by request