0090-0001 Screening compound: 4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]aniline

0090-0001 Screening compound: 4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]aniline
0090-0001 Screening compound: 4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0090-0001
4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]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

0090-0001

Molecular Formula

C24H20N2OS2 (C24 H20 N2 OS2)

Compound Name

4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]aniline

IUPAC name

4-[(4-{4-[(4-aminophenyl)sulfanyl]phenoxy}phenyl)sulfanyl]aniline

SMILES

Nc(cc1)ccc1Sc(cc1)ccc1Oc(cc1)ccc1Sc(cc1)ccc1N

InChI

InChI=1S/C24H20N2OS2/c25-17-1-9-21(10-2-17)28-23-13-5-19(6-14-23)27-20-7-15-24(16-8-20)29-22-11-3-18(26)4-12-22/h1-16H,25-26H2

InChI Key

OCAJVHOTSPMDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00346729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.222

Distribution Coefficient, logD

6.221

Water Solubility, LogSw

-6.12

Polar Surface Area

48.055

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0090-0001 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 0090-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0090-0001?
Check Price and Availability of 0090-0001, 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 0090-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0090-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0090-0001
  • 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 0090-0001 available by request