8003-0179 Screening compound: N-{[1,1'-biphenyl]-2-yl}-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

8003-0179 Screening compound: N-{[1,1'-biphenyl]-2-yl}-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
8003-0179 Screening compound: N-{[1,1'-biphenyl]-2-yl}-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0179
N-{[1,1'-biphenyl]-2-yl}-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]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

8003-0179

Molecular Formula

C23H20N2O2S2 (C23 H20 N2 O2 S2)

Compound Name

N-{[1,1'-biphenyl]-2-yl}-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-{[11'-biphenyl]-2-yl}-2-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

CCOc(cc1)cc2c1nc(SCC(Nc(cccc1)c1-c1ccccc1)=O)s2

InChI

InChI=1S/C23H20N2O2S2/c1-2-27-17-12-13-20-21(14-17)29-23(25-20)28-15-22(26)24-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,24,26)

InChI Key

IMOIDEFYOHFDKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.852

Water Solubility, LogSw

-5.48

Polar Surface Area

38.352

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8003-0179 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8003-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0179?
Check Price and Availability of 8003-0179, 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 8003-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0179
  • 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 8003-0179 available by request