3901-0018 Screening compound: 1-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)thiourea

3901-0018 Screening compound: 1-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)thiourea
3901-0018 Screening compound: 1-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3901-0018
1-[4-(diethylamino)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

3901-0018

Molecular Formula

C16H19N3O2S (C16 H19 N3 O2 S)

Compound Name

1-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)thiourea

IUPAC name

1-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)thiourea

SMILES

CCN(CC)c(cc1)ccc1NC(NC(c1ccco1)=O)=S

InChI

InChI=1S/C16H19N3O2S/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(22)18-15(20)14-6-5-11-21-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,22)

InChI Key

KGIIMKHUFSKYML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.71

Polar Surface Area

44.554

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3901-0018 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3901-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3901-0018?
Check Price and Availability of 3901-0018, 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 3901-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3901-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3901-0018
  • 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 3901-0018 available by request