5236-0096 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-nitro-4-phenyl-1,2-dihydroquinolin-2-one

5236-0096 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-nitro-4-phenyl-1,2-dihydroquinolin-2-one
5236-0096 Screening compound: 3-(1,3-benzoxazol-2-ylsulfanyl)-6-nitro-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5236-0096
3-(1,3-benzoxazol-2-ylsulfanyl)-6-nitro-4-phenyl-1,2-dihydroquinolin-2-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

5236-0096

Molecular Formula

C22H13N3O4S (C22 H13 N3 O4 S)

Compound Name

3-(1,3-benzoxazol-2-ylsulfanyl)-6-nitro-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc(C(c2ccccc2)=C2Sc3nc(cccc4)c4o3)c1NC2=O)=O

InChI

InChI=1S/C22H13N3O4S/c26-21-20(30-22-24-17-8-4-5-9-18(17)29-22)19(13-6-2-1-3-7-13)15-12-14(25(27)28)10-11-16(15)23-21/h1-12H,(H,23,26)

InChI Key

DWNVOPOAKKGRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03194570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.59

Polar Surface Area

74.618

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5236-0096 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5236-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0096?
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What is the minimum amount of 5236-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0096
  • 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 5236-0096 available by request