C198-0199 Screening compound: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-[(thiophen-2-yl)methyl]thiourea

C198-0199 Screening compound: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-[(thiophen-2-yl)methyl]thiourea
C198-0199 Screening compound: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0199
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-[(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

C198-0199

Molecular Formula

C21H27N3OS2 (C21 H27 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H27N3OS2/c1-15-6-7-20-19(13-15)18(16(2)23-20)8-10-24(14-17-5-4-12-27-17)21(26)22-9-11-25-3/h4-7,12-13,23H,8-11,14H2,1-3H3,(H,22,26)

InChI Key

KMWCULYUJSBGBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.47

Polar Surface Area

31.128

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C198-0199 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C198-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C198-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0199
  • 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 C198-0199 available by request