C198-0236 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea

C198-0236 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
C198-0236 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0236
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)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

C198-0236

Molecular Formula

C22H25F2N3OS (C22 H25 F2 N3 OS)

Compound Name

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea

IUPAC name

1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea

SMILES

Cc1c(CCN(Cc(cccc2)c2F)C(NCCOC)=S)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C22H25F2N3OS/c1-15-18(19-13-17(23)7-8-21(19)26-15)9-11-27(22(29)25-10-12-28-2)14-16-5-3-4-6-20(16)24/h3-8,13,26H,9-12,14H2,1-2H3,(H,25,29)

InChI Key

VMHFWECWPUKIPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.52

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

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.65

Polar Surface Area

30.110

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C198-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0236?
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What is the minimum amount of C198-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0236
  • 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 C198-0236 available by request