D336-4417 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide

D336-4417 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide
D336-4417 Screening compound: N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-4417
N-(2-{[2-(2-chlorophenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)pentanamide

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

D336-4417

Molecular Formula

C20H21ClN2O2S2 (C20 H21 ClN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(cc1)cc2c1nc(SCCOc(cccc1)c1Cl)s2)=O

InChI

InChI=1S/C20H21ClN2O2S2/c1-2-3-8-19(24)22-14-9-10-16-18(13-14)27-20(23-16)26-12-11-25-17-7-5-4-6-15(17)21/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,22,24)

InChI Key

OBJDLVYSDGVSSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.98

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

5.680

Distribution Coefficient, logD

5.680

Water Solubility, LogSw

-5.81

Polar Surface Area

39.702

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D336-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-4417?
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What is the minimum amount of D336-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-4417
  • 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 D336-4417 available by request