C198-0045 Screening compound: 1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-yl)methyl]thiourea

C198-0045 Screening compound: 1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-yl)methyl]thiourea
C198-0045 Screening compound: 1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0045
1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-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

C198-0045

Molecular Formula

C24H30N4S (C24 H30 N4 S)

Compound Name

1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-yl)methyl]thiourea

IUPAC name

1-cyclohexyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-3-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2cnccc2)C(NC2CCCCC2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H30N4S/c1-18-21(22-11-5-6-12-23(22)26-18)13-15-28(17-19-8-7-14-25-16-19)24(29)27-20-9-3-2-4-10-20/h5-8,11-12,14,16,20,26H,2-4,9-10,13,15,17H2,1H3,(H,27,29)

InChI Key

JZCCRQVBGIIQEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.685

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.20

Polar Surface Area

30.898

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C198-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0045?
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What is the minimum amount of C198-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0045
  • 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 C198-0045 available by request