4151-0515 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

4151-0515 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
4151-0515 Screening compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0515
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-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

4151-0515

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(5-phenyl-134-oxadiazol-2-yl)sulfanyl]-1-(224-trimethyl-12-dihydroquinolin-1-yl)ethan-1-one

SMILES

CC1(C)N(C(CSc2nnc(-c3ccccc3)o2)=O)c(cccc2)c2C(C)=C1

InChI

InChI=1S/C22H21N3O2S/c1-15-13-22(2,3)25(18-12-8-7-11-17(15)18)19(26)14-28-21-24-23-20(27-21)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3

InChI Key

LXRANVJVIIVFGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02722444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.43

Polar Surface Area

43.894

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4151-0515 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4151-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0515?
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What is the minimum amount of 4151-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0515
  • 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 4151-0515 available by request