C198-0330 Screening compound: 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea

C198-0330 Screening compound: 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea
C198-0330 Screening compound: 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0330
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea

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

C198-0330

Molecular Formula

C21H24ClN3OS (C21 H24 ClN3 OS)

Compound Name

1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea

IUPAC name

1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-methylthiourea

SMILES

Cc1c(CCN(Cc(cccc2)c2OC)C(NC)=S)c(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C21H24ClN3OS/c1-14-17(18-12-16(22)8-9-19(18)24-14)10-11-25(21(27)23-2)13-15-6-4-5-7-20(15)26-3/h4-9,12,24H,10-11,13H2,1-3H3,(H,23,27)

InChI Key

MGIYWCPAUJPYLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.96

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

5.035

Distribution Coefficient, logD

5.035

Water Solubility, LogSw

-5.02

Polar Surface Area

29.707

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C198-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0330?
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What is the minimum amount of C198-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0330
  • 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 C198-0330 available by request