C198-0113 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea

C198-0113 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea
C198-0113 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0113
1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-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

C198-0113

Molecular Formula

C24H25N3OS2 (C24 H25 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(Cc2cccs2)C(Nc2cc(OC)ccc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H25N3OS2/c1-17-21(22-10-3-4-11-23(22)25-17)12-13-27(16-20-9-6-14-30-20)24(29)26-18-7-5-8-19(15-18)28-2/h3-11,14-15,25H,12-13,16H2,1-2H3,(H,26,29)

InChI Key

FVZIWOKPRSIMEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.855

Distribution Coefficient, logD

5.855

Water Solubility, LogSw

-5.90

Polar Surface Area

28.894

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C198-0113 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 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 C198-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0113?
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What is the minimum amount of C198-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0113
  • 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 C198-0113 available by request