C449-0024 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea

C449-0024 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea
C449-0024 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0024
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea

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

C449-0024

Molecular Formula

C18H20FN3OS (C18 H20 FN3 OS)

Compound Name

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea

IUPAC name

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]-3-methylthiourea

SMILES

Cc1c(CCN(Cc2ccco2)C(NC)=S)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C18H20FN3OS/c1-12-15(16-10-13(19)5-6-17(16)21-12)7-8-22(18(24)20-2)11-14-4-3-9-23-14/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,20,24)

InChI Key

ZPYVXDNRWKYWBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.23

Polar Surface Area

29.825

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C449-0024 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C449-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0024?
Check Price and Availability of C449-0024, 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 C449-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0024
  • 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 C449-0024 available by request