C198-0442 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea

C198-0442 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
C198-0442 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0442
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-[(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

C198-0442

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

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

IUPAC name

1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methyl-1-[(345-trimethoxyphenyl)methyl]thiourea

SMILES

Cc1c(CCN(Cc(cc2OC)cc(OC)c2OC)C(NC)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C24H31N3O4S/c1-15-18(19-13-17(28-3)7-8-20(19)26-15)9-10-27(24(32)25-2)14-16-11-21(29-4)23(31-6)22(12-16)30-5/h7-8,11-13,26H,9-10,14H2,1-6H3,(H,25,32)

InChI Key

ZPFOYAQRQKYCDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.28

Polar Surface Area

52.598

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C198-0442 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C198-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0442?
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What is the minimum amount of C198-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0442
  • 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 C198-0442 available by request