D336-1886 Screening compound: 2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

D336-1886 Screening compound: 2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
D336-1886 Screening compound: 2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1886
2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]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

D336-1886

Molecular Formula

C24H21N3O3S2 (C24 H21 N3 O3 S2)

Compound Name

2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide

IUPAC name

2-phenoxy-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)propanamide

SMILES

CC(C(Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2)=O)Oc1ccccc1

InChI

InChI=1S/C24H21N3O3S2/c1-16(30-19-10-6-3-7-11-19)23(29)26-18-12-13-20-21(14-18)32-24(27-20)31-15-22(28)25-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)/t16-/m0/s1

InChI Key

YQRQBQWVVVKHIV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14819800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-4.95

Polar Surface Area

62.078

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D336-1886 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D336-1886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1886?
Check Price and Availability of D336-1886, 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 D336-1886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1886
  • 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 D336-1886 available by request