C198-0072 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

C198-0072 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
C198-0072 Screening compound: 1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0072
1-(3-methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-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

C198-0072

Molecular Formula

C29H33N3O4S (C29 H33 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(Cc(cc2OC)cc(OC)c2OC)C(Nc2cc(OC)ccc2)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C29H33N3O4S/c1-19-23(24-11-6-7-12-25(24)30-19)13-14-32(29(37)31-21-9-8-10-22(17-21)33-2)18-20-15-26(34-3)28(36-5)27(16-20)35-4/h6-12,15-17,30H,13-14,18H2,1-5H3,(H,31,37)

InChI Key

KWVUQJYELDNTOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

5.561

Water Solubility, LogSw

-5.80

Polar Surface Area

50.854

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C198-0072 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C198-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0072?
Check Price and Availability of C198-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C198-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0072
  • 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 C198-0072 available by request