Y010-1682 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-2(1H)-quinolinone

Y010-1682 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-2(1H)-quinolinone
Y010-1682 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1682
3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-2(1H)-quinolinone

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

Y010-1682

Molecular Formula

C22H13ClN2O2S (C22 H13 ClN2 O2 S)

Compound Name

3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-2(1H)-quinolinone

IUPAC name

3-(13-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-12-dihydroquinolin-2-one

SMILES

O=C1Nc(ccc(Cl)c2)c2C(c2ccccc2)=C1Sc1nc(cccc2)c2o1

InChI

InChI=1S/C22H13ClN2O2S/c23-14-10-11-16-15(12-14)19(13-6-2-1-3-7-13)20(21(26)24-16)28-22-25-17-8-4-5-9-18(17)27-22/h1-12H,(H,24,26)

InChI Key

FYZKOFQLZWDADE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

6.073

Water Solubility, LogSw

-6.21

Polar Surface Area

41.236

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y010-1682 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1682?
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What is the minimum amount of Y010-1682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1682
  • 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 Y010-1682 available by request