8019-3969 Screening compound: N~1~-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)methyl]-2-[(7-chloro-4-quinolyl)sulfanyl]acetamide

8019-3969 Screening compound: N~1~-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)methyl]-2-[(7-chloro-4-quinolyl)sulfanyl]acetamide
8019-3969 Screening compound: N~1~-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)methyl]-2-[(7-chloro-4-quinolyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3969
N~1~-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)methyl]-2-[(7-chloro-4-quinolyl)sulfanyl]acetamide

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

8019-3969

Molecular Formula

C19H13Cl2N3O3S (C19 H13 Cl2 N3 O3 S)

Compound Name

N~1~-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)methyl]-2-[(7-chloro-4-quinolyl)sulfanyl]acetamide

IUPAC name

N-[(5-chloro-2-oxo-23-dihydro-13-benzoxazol-6-yl)methyl]-2-[(7-chloroquinolin-4-yl)sulfanyl]acetamide

SMILES

O=C(CSc1ccnc2cc(Cl)ccc12)NCc(cc(c(N1)c2)OC1=O)c2Cl

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.59

Polar Surface Area

66.619

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8019-3969 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3969?
Check Price and Availability of 8019-3969, 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 8019-3969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3969
  • 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 8019-3969 available by request