6208-0745 Screening compound: 4-(hydroxydiphenylmethyl)-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide

6208-0745 Screening compound: 4-(hydroxydiphenylmethyl)-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide
6208-0745 Screening compound: 4-(hydroxydiphenylmethyl)-N-[4-(phenylamino)phenyl]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0745
4-(hydroxydiphenylmethyl)-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

6208-0745

Molecular Formula

C31H31N3OS (C31 H31 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

OC(C(CC1)CCN1C(Nc(cc1)ccc1Nc1ccccc1)=S)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C31H31N3OS/c35-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-20-22-34(23-21-26)30(36)33-29-18-16-28(17-19-29)32-27-14-8-3-9-15-27/h1-19,26,32,35H,20-23H2,(H,33,36)

InChI Key

GQCXCPZLOPKGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03760183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.606

Distribution Coefficient, logD

6.606

Water Solubility, LogSw

-6.16

Polar Surface Area

34.574

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

6208-0745 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6208-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0745?
Check Price and Availability of 6208-0745, 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 6208-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0745
  • 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 6208-0745 available by request