C449-0026 Screening compound: 3-tert-butyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]thiourea

C449-0026 Screening compound: 3-tert-butyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]thiourea
C449-0026 Screening compound: 3-tert-butyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0026
3-tert-butyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(furan-2-yl)methyl]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

C449-0026

Molecular Formula

C21H26FN3OS (C21 H26 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(N(CCc1c(C)[nH]c(cc2)c1cc2F)Cc1ccco1)=S

InChI

InChI=1S/C21H26FN3OS/c1-14-17(18-12-15(22)7-8-19(18)23-14)9-10-25(13-16-6-5-11-26-16)20(27)24-21(2,3)4/h5-8,11-12,23H,9-10,13H2,1-4H3,(H,24,27)

InChI Key

MTBQWEMRWFBDHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.23

Polar Surface Area

28.499

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C449-0026 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C449-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0026?
Check Price and Availability of C449-0026, 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 C449-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0026
  • 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 C449-0026 available by request