8012-3606 Screening compound: N-phenyl-N'-{3-[2-(2-pyridyl)ethyl]phenyl}thiourea

8012-3606 Screening compound: N-phenyl-N'-{3-[2-(2-pyridyl)ethyl]phenyl}thiourea
8012-3606 Screening compound: N-phenyl-N'-{3-[2-(2-pyridyl)ethyl]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3606
N-phenyl-N'-{3-[2-(2-pyridyl)ethyl]phenyl}thiourea

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

8012-3606

Molecular Formula

C20H19N3S (C20 H19 N3 S)

Compound Name

N-phenyl-N'-{3-[2-(2-pyridyl)ethyl]phenyl}thiourea

IUPAC name

1-phenyl-3-{3-[2-(pyridin-2-yl)ethyl]phenyl}thiourea

SMILES

S=C(Nc1ccccc1)Nc1cc(CCc2ncccc2)ccc1

InChI

InChI=1S/C20H19N3S/c24-20(22-18-9-2-1-3-10-18)23-19-11-6-7-16(15-19)12-13-17-8-4-5-14-21-17/h1-11,14-15H,12-13H2,(H2,22,23,24)

InChI Key

VZNRTIOQRLIIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

4.469

Water Solubility, LogSw

-4.54

Polar Surface Area

28.332

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8012-3606 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-3606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3606?
Check Price and Availability of 8012-3606, 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 8012-3606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3606
  • 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 8012-3606 available by request