D336-0467 Screening compound: 2-methoxy-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-0467 Screening compound: 2-methoxy-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-0467 Screening compound: 2-methoxy-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0467
2-methoxy-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

D336-0467

Molecular Formula

C26H23N3O3S2 (C26 H23 N3 O3 S2)

Compound Name

2-methoxy-N-(2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

2-methoxy-N-(2-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc2c1nc(SCC(N(CCC1)c3c1cccc3)=O)s2)=O

InChI

InChI=1S/C26H23N3O3S2/c1-32-22-11-5-3-9-19(22)25(31)27-18-12-13-20-23(15-18)34-26(28-20)33-16-24(30)29-14-6-8-17-7-2-4-10-21(17)29/h2-5,7,9-13,15H,6,8,14,16H2,1H3,(H,27,31)

InChI Key

DJZUUVXCGUDCMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.399

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-5.24

Polar Surface Area

54.827

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D336-0467 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0467?
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What is the minimum amount of D336-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0467
  • 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 D336-0467 available by request