D336-3643 Screening compound: 2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide

D336-3643 Screening compound: 2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
D336-3643 Screening compound: 2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3643
2-ethyl-N-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide

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

D336-3643

Molecular Formula

C22H26N2O2S2 (C22 H26 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(Nc(cc1)cc2c1nc(SCCOc1ccc(C)cc1)s2)=O

InChI

InChI=1S/C22H26N2O2S2/c1-4-16(5-2)21(25)23-17-8-11-19-20(14-17)28-22(24-19)27-13-12-26-18-9-6-15(3)7-10-18/h6-11,14,16H,4-5,12-13H2,1-3H3,(H,23,25)

InChI Key

PMYDVCAAIZECMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-5.32

Polar Surface Area

39.829

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with D336-3643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3643?
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What is the minimum amount of D336-3643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3643
  • 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 D336-3643 available by request