L111-0400 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one

L111-0400 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
L111-0400 Screening compound: 4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L111-0400
4-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-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

L111-0400

Molecular Formula

C18H14ClN3O3 (C18 H14 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(cccc2)c2N(Cc2nc(-c3cccc(Cl)c3)no2)C1=O

InChI

InChI=1S/C18H14ClN3O3/c1-11-18(23)22(14-7-2-3-8-15(14)24-11)10-16-20-17(21-25-16)12-5-4-6-13(19)9-12/h2-9,11H,10H2,1H3/t11-/m1/s1

InChI Key

CPWARANTFLXXDX-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27232893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.78

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

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.47

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

16.67

L111-0400 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L111-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L111-0400?
Check Price and Availability of L111-0400, 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 L111-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L111-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L111-0400
  • 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 L111-0400 available by request