C198-0202 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea

C198-0202 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea
C198-0202 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0202
3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)-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

C198-0202

Molecular Formula

C25H27N3OS2 (C25 H27 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H27N3OS2/c1-17-10-11-22-21(15-17)20(18(2)26-22)12-13-28(16-19-7-6-14-31-19)25(30)27-23-8-4-5-9-24(23)29-3/h4-11,14-15,26H,12-13,16H2,1-3H3,(H,27,30)

InChI Key

DNFMYOYDXONFFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.64

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

6.508

Distribution Coefficient, logD

6.508

Water Solubility, LogSw

-5.86

Polar Surface Area

28.283

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C198-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0202?
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What is the minimum amount of C198-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0202
  • 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 C198-0202 available by request