6208-0742 Screening compound: 4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide

6208-0742 Screening compound: 4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide
6208-0742 Screening compound: 4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0742
4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide

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

6208-0742

Molecular Formula

C18H21N3OS (C18 H21 N3 OS)

Compound Name

4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide

IUPAC name

4-hydroxy-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide

SMILES

OC(CC1)CCN1C(Nc(cc1)ccc1Nc1ccccc1)=S

InChI

InChI=1S/C18H21N3OS/c22-17-10-12-21(13-11-17)18(23)20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-9,17,19,22H,10-13H2,(H,20,23)

InChI Key

LKFYGMKCUDNBOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03760180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.20

Polar Surface Area

35.771

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6208-0742 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6208-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0742?
Check Price and Availability of 6208-0742, 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 6208-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0742
  • 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 6208-0742 available by request