8006-8467 Screening compound: 2-({6-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

8006-8467 Screening compound: 2-({6-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
8006-8467 Screening compound: 2-({6-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8467
2-({6-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-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

8006-8467

Molecular Formula

C20H17Cl2N3O2S2 (C20 H17 Cl2 N3 O2 S2)

Compound Name

2-({6-[(E)-[(2,4-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-({6-[(E)-[(24-dichlorophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(CSc1nc(ccc(/N=C/c(ccc(Cl)c2)c2Cl)c2)c2s1)N1CCOCC1

InChI

InChI=1S/C20H17Cl2N3O2S2/c21-14-2-1-13(16(22)9-14)11-23-15-3-4-17-18(10-15)29-20(24-17)28-12-19(26)25-5-7-27-8-6-25/h1-4,9-11H,5-8,12H2

InChI Key

VDMLFVUBIPTCRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-5.21

Polar Surface Area

41.477

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8006-8467 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8006-8467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8467?
Check Price and Availability of 8006-8467, 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 8006-8467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8467
  • 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 8006-8467 available by request