C198-0115 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea

C198-0115 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea
C198-0115 Screening compound: 1-(2,5-dimethoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0115
1-(2,5-dimethoxyphenyl)-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

C198-0115

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

1-(2,5-dimethoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(25-dimethoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2cccs2)C(Nc(cc(cc2)OC)c2OC)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H27N3O2S2/c1-17-20(21-8-4-5-9-22(21)26-17)12-13-28(16-19-7-6-14-32-19)25(31)27-23-15-18(29-2)10-11-24(23)30-3/h4-11,14-15,26H,12-13,16H2,1-3H3,(H,27,31)

InChI Key

CBYUCPYFKGYOHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.815

Water Solubility, LogSw

-5.87

Polar Surface Area

35.827

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C198-0115 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 C198-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0115?
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What is the minimum amount of C198-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0115
  • 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 C198-0115 available by request