C198-0431 Screening compound: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-3-yl)methyl]thiourea

C198-0431 Screening compound: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-3-yl)methyl]thiourea
C198-0431 Screening compound: 3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0431
3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(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

C198-0431

Molecular Formula

C27H30N4OS (C27 H30 N4 OS)

Compound Name

3-(2,4-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-3-yl)methyl]thiourea

IUPAC name

3-(24-dimethylphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[(pyridin-3-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2cnccc2)C(Nc2c(C)cc(C)cc2)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C27H30N4OS/c1-18-7-9-25(19(2)14-18)30-27(33)31(17-21-6-5-12-28-16-21)13-11-23-20(3)29-26-10-8-22(32-4)15-24(23)26/h5-10,12,14-16,29H,11,13,17H2,1-4H3,(H,30,33)

InChI Key

CROIVBJBDIYPKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.539

Distribution Coefficient, logD

5.539

Water Solubility, LogSw

-5.25

Polar Surface Area

36.696

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C198-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0431
  • 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 C198-0431 available by request