0800-0687 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

0800-0687 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide
0800-0687 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0687
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

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

0800-0687

Molecular Formula

C20H18N2OS (C20 H18 N2 OS)

Compound Name

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide

IUPAC name

N-(4567-tetrahydro-13-benzothiazol-2-yl)-[11'-biphenyl]-4-carboxamide

SMILES

O=C(c(cc1)ccc1-c1ccccc1)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C20H18N2OS/c23-19(22-20-21-17-8-4-5-9-18(17)24-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,22,23)

InChI Key

HBAOZFMNBADBOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-5.89

Polar Surface Area

34.526

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0800-0687 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Frequent Hitters Library (7624 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0800-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0687?
Check Price and Availability of 0800-0687, 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 0800-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0687
  • 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 0800-0687 available by request