C449-0178 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)thiourea

C449-0178 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)thiourea
C449-0178 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0178
3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)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

C449-0178

Molecular Formula

C25H27N3O2S (C25 H27 N3 O2 S)

Compound Name

3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)thiourea

IUPAC name

3-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-3-[(furan-2-yl)methyl]-1-(4-methoxyphenyl)thiourea

SMILES

Cc1c(CCN(Cc2ccco2)C(Nc(cc2)ccc2OC)=S)c(cc(C)cc2)c2[nH]1

InChI

InChI=1S/C25H27N3O2S/c1-17-6-11-24-23(15-17)22(18(2)26-24)12-13-28(16-21-5-4-14-30-21)25(31)27-19-7-9-20(29-3)10-8-19/h4-11,14-15,26H,12-13,16H2,1-3H3,(H,27,31)

InChI Key

NBWNCWLFFNCVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

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

5.969

Distribution Coefficient, logD

5.969

Water Solubility, LogSw

-5.60

Polar Surface Area

35.625

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C449-0178 in Drug Discovery

Included in Screening Libraries

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 C449-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0178?
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What is the minimum amount of C449-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0178
  • 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 C449-0178 available by request