D336-4064 Screening compound: 2,2-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

D336-4064 Screening compound: 2,2-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
D336-4064 Screening compound: 2,2-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4064
2,2-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

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

D336-4064

Molecular Formula

C21H24N2O2S2 (C21 H24 N2 O2 S2)

Compound Name

2,2-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

IUPAC name

22-dimethyl-N-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-13-benzothiazol-6-yl)propanamide

SMILES

CC(C)(C)C(Nc(cc1)cc2c1nc(SCCOc1c(C)cccc1)s2)=O

InChI

InChI=1S/C21H24N2O2S2/c1-14-7-5-6-8-17(14)25-11-12-26-20-23-16-10-9-15(13-18(16)27-20)22-19(24)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,22,24)

InChI Key

OILVDELPNUGDOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.662

Distribution Coefficient, logD

5.662

Water Solubility, LogSw

-5.37

Polar Surface Area

39.915

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D336-4064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4064?
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What is the minimum amount of D336-4064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4064
  • 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 D336-4064 available by request