C198-0070 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

C198-0070 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
C198-0070 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0070
3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(3,4,5-trimethoxyphenyl)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

C198-0070

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

IUPAC name

3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-phenyl-3-[(345-trimethoxyphenyl)methyl]thiourea

SMILES

Cc1c(CCN(Cc(cc2OC)cc(OC)c2OC)C(Nc2ccccc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C28H31N3O3S/c1-19-22(23-12-8-9-13-24(23)29-19)14-15-31(28(35)30-21-10-6-5-7-11-21)18-20-16-25(32-2)27(34-4)26(17-20)33-3/h5-13,16-17,29H,14-15,18H2,1-4H3,(H,30,35)

InChI Key

HTFJXVKLCAYAKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.65

Polar Surface Area

43.310

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C198-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0070?
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What is the minimum amount of C198-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0070
  • 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 C198-0070 available by request