D336-4686 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide

D336-4686 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide
D336-4686 Screening compound: N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4686
N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide

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

D336-4686

Molecular Formula

C18H20N2O4S3 (C18 H20 N2 O4 S3)

Compound Name

N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)methanesulfonamide

IUPAC name

N-(2-{[2-(2-methoxy-4-methylphenoxy)ethyl]sulfanyl}-13-benzothiazol-6-yl)methanesulfonamide

SMILES

Cc(cc1)cc(OC)c1OCCSc1nc(ccc(NS(C)(=O)=O)c2)c2s1

InChI

InChI=1S/C18H20N2O4S3/c1-12-4-7-15(16(10-12)23-2)24-8-9-25-18-19-14-6-5-13(11-17(14)26-18)20-27(3,21)22/h4-7,10-11,20H,8-9H2,1-3H3

InChI Key

PVDSCKZNRSZAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-3.91

Polar Surface Area

66.050

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D336-4686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4686?
Check Price and Availability of D336-4686, 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 D336-4686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4686
  • 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 D336-4686 available by request