C198-0069 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

C198-0069 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
C198-0069 Screening compound: 3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0069
3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-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

C198-0069

Molecular Formula

C30H35N3O3S (C30 H35 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(Cc(cc2OC)cc(OC)c2OC)C(NCCc2ccccc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C30H35N3O3S/c1-21-24(25-12-8-9-13-26(25)32-21)15-17-33(30(37)31-16-14-22-10-6-5-7-11-22)20-23-18-27(34-2)29(36-4)28(19-23)35-3/h5-13,18-19,32H,14-17,20H2,1-4H3,(H,31,37)

InChI Key

LUHSAEMDPZJXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.243

Distribution Coefficient, logD

5.243

Water Solubility, LogSw

-5.40

Polar Surface Area

44.474

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C198-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0069?
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What is the minimum amount of C198-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0069
  • 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 C198-0069 available by request