D336-0125 Screening compound: 4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-0125 Screening compound: 4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-0125 Screening compound: 4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0125
4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]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

D336-0125

Molecular Formula

C20H18BrN3O3S2 (C20 H18 BrN3 O3 S2)

Compound Name

4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-bromo-N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

O=C(CSc1nc(ccc(NC(c(cc2)ccc2Br)=O)c2)c2s1)N1CCOCC1

InChI

InChI=1S/C20H18BrN3O3S2/c21-14-3-1-13(2-4-14)19(26)22-15-5-6-16-17(11-15)29-20(23-16)28-12-18(25)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26)

InChI Key

CDVSMQCKKVWRJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00758428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.21

Polar Surface Area

56.441

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D336-0125 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D336-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0125?
Check Price and Availability of D336-0125, 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 D336-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0125
  • 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 D336-0125 available by request