D328-0451 Screening compound: 2,2-diphenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

D328-0451 Screening compound: 2,2-diphenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
D328-0451 Screening compound: 2,2-diphenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0451
2,2-diphenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

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

D328-0451

Molecular Formula

C21H20N2OS (C21 H20 N2 OS)

Compound Name

2,2-diphenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

IUPAC name

22-diphenyl-N-(4567-tetrahydro-13-benzothiazol-2-yl)acetamide

SMILES

O=C(C(c1ccccc1)c1ccccc1)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C21H20N2OS/c24-20(23-21-22-17-13-7-8-14-18(17)25-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,19H,7-8,13-14H2,(H,22,23,24)

InChI Key

GKGGUTBNGKINKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00378918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-5.64

Polar Surface Area

34.526

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D328-0451 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D328-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0451?
Check Price and Availability of D328-0451, 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 D328-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0451
  • 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 D328-0451 available by request