3616-1111 Screening compound: 1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)thiourea

3616-1111 Screening compound: 1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)thiourea
3616-1111 Screening compound: 1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1111
1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)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

3616-1111

Molecular Formula

C17H18ClN3O2S (C17 H18 ClN3 O2 S)

Compound Name

1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[3-chloro-4-(piperidin-1-yl)phenyl]-3-(furan-2-carbonyl)thiourea

SMILES

O=C(c1ccco1)NC(Nc(cc1)cc(Cl)c1N1CCCCC1)=S

InChI

InChI=1S/C17H18ClN3O2S/c18-13-11-12(6-7-14(13)21-8-2-1-3-9-21)19-17(24)20-16(22)15-5-4-10-23-15/h4-7,10-11H,1-3,8-9H2,(H2,19,20,22,24)

InChI Key

AKCMGELNVOYXMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.53

Polar Surface Area

44.970

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3616-1111 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3616-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1111?
Check Price and Availability of 3616-1111, 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 3616-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1111
  • 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 3616-1111 available by request