D336-1169 Screening compound: 2-({6-[2-(4-fluorophenoxy)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

D336-1169 Screening compound: 2-({6-[2-(4-fluorophenoxy)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide
D336-1169 Screening compound: 2-({6-[2-(4-fluorophenoxy)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1169
2-({6-[2-(4-fluorophenoxy)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

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

D336-1169

Molecular Formula

C24H20FN3O3S2 (C24 H20 FN3 O3 S2)

Compound Name

2-({6-[2-(4-fluorophenoxy)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

IUPAC name

2-({6-[2-(4-fluorophenoxy)acetamido]-13-benzothiazol-2-yl}sulfanyl)-N-methyl-N-phenylacetamide

SMILES

CN(C(CSc1nc(ccc(NC(COc(cc2)ccc2F)=O)c2)c2s1)=O)c1ccccc1

InChI

InChI=1S/C24H20FN3O3S2/c1-28(18-5-3-2-4-6-18)23(30)15-32-24-27-20-12-9-17(13-21(20)33-24)26-22(29)14-31-19-10-7-16(25)8-11-19/h2-13H,14-15H2,1H3,(H,26,29)

InChI Key

WLDXLJMMCVVAKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.40

Polar Surface Area

54.538

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-1169 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 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 D336-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1169?
Check Price and Availability of D336-1169, 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 D336-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1169
  • 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 D336-1169 available by request