4802-0178 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

4802-0178 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
4802-0178 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0178
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-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

4802-0178

Molecular Formula

C22H22N2O2S (C22 H22 N2 O2 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-1-(2247-tetramethyl-12-dihydroquinolin-1-yl)ethan-1-one

SMILES

CC1(C)N(C(CSc2nc(cccc3)c3o2)=O)c(cc(C)cc2)c2C(C)=C1

InChI

InChI=1S/C22H22N2O2S/c1-14-9-10-16-15(2)12-22(3,4)24(18(16)11-14)20(25)13-27-21-23-17-7-5-6-8-19(17)26-21/h5-12H,13H2,1-4H3

InChI Key

SBDLFUUWMBBFHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.46

Polar Surface Area

30.460

Acid Dissociation Constant (pKa)

19.74

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4802-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0178?
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What is the minimum amount of 4802-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0178
  • 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 4802-0178 available by request