6408-0035 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline

6408-0035 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline
6408-0035 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0035
4-(1,3-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline

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

6408-0035

Molecular Formula

C27H21FN2OS (C27 H21 FN2 OS)

Compound Name

4-(1,3-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline

IUPAC name

4-(13-benzothiazol-2-yl)-N-({2-[(4-fluorophenyl)methoxy]phenyl}methyl)aniline

SMILES

Fc1ccc(COc2c(CNc(cc3)ccc3-c3nc(cccc4)c4s3)cccc2)cc1

InChI

InChI=1S/C27H21FN2OS/c28-22-13-9-19(10-14-22)18-31-25-7-3-1-5-21(25)17-29-23-15-11-20(12-16-23)27-30-24-6-2-4-8-26(24)32-27/h1-16,29H,17-18H2

InChI Key

ADQFDKPDZDPYSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.157

Distribution Coefficient, logD

7.157

Water Solubility, LogSw

-6.43

Polar Surface Area

27.236

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

6408-0035 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 6408-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0035?
Check Price and Availability of 6408-0035, 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 6408-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0035
  • 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 6408-0035 available by request