C467-0016 Screening compound: 3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

C467-0016 Screening compound: 3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea
C467-0016 Screening compound: 3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0016
3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]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

C467-0016

Molecular Formula

C16H19ClN4S (C16 H19 ClN4 S)

Compound Name

3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

IUPAC name

3-(2-chlorophenyl)-1-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

SMILES

CN(C)C(CNC(Nc(cccc1)c1Cl)=S)c1cnccc1

InChI

InChI=1S/C16H19ClN4S/c1-21(2)15(12-6-5-9-18-10-12)11-19-16(22)20-14-8-4-3-7-13(14)17/h3-10,15H,11H2,1-2H3,(H2,19,20,22)/t15-/m0/s1

InChI Key

JJEXYTGDQNIOLN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04467256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-2.70

Polar Surface Area

31.545

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C467-0016 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C467-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0016?
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What is the minimum amount of C467-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0016
  • 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 C467-0016 available by request