D336-4416 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

D336-4416 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
D336-4416 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4416
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

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

D336-4416

Molecular Formula

C19H19ClN2O2S2 (C19 H19 ClN2 O2 S2)

Compound Name

N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

IUPAC name

N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-13-benzothiazol-6-yl)-2-methylpropanamide

SMILES

CC(C)C(Nc(cc1)cc2c1nc(SCCOc(cccc1)c1Cl)s2)=O

InChI

InChI=1S/C19H19ClN2O2S2/c1-12(2)18(23)21-13-7-8-15-17(11-13)26-19(22-15)25-10-9-24-16-6-4-3-5-14(16)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)

InChI Key

ZYWPEPQLKNMWCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.96

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

5.332

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.88

Polar Surface Area

39.915

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D336-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4416?
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What is the minimum amount of D336-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4416
  • 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 D336-4416 available by request