C449-0131 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

C449-0131 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
C449-0131 Screening compound: 3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0131
3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-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

C449-0131

Molecular Formula

C24H25N3O2S (C24 H25 N3 O2 S)

Compound Name

3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

IUPAC name

3-[(furan-2-yl)methyl]-1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

SMILES

Cc1c(CCN(Cc2ccco2)C(Nc2cc(OC)ccc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H25N3O2S/c1-17-21(22-10-3-4-11-23(22)25-17)12-13-27(16-20-9-6-14-29-20)24(30)26-18-7-5-8-19(15-18)28-2/h3-11,14-15,25H,12-13,16H2,1-2H3,(H,26,30)

InChI Key

LGPSGVUVTSJALL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.79

Polar Surface Area

35.625

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C449-0131 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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 C449-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0131?
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What is the minimum amount of C449-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0131
  • 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 C449-0131 available by request