C198-0469 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-[(pyridin-4-yl)methyl]thiourea

C198-0469 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-[(pyridin-4-yl)methyl]thiourea
C198-0469 Screening compound: 1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-[(pyridin-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0469
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-[(pyridin-4-yl)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

C198-0469

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(Cc2ccncc2)C(Nc2cc(OC)ccc2)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C26H28N4O2S/c1-18-23(24-16-22(32-3)7-8-25(24)28-18)11-14-30(17-19-9-12-27-13-10-19)26(33)29-20-5-4-6-21(15-20)31-2/h4-10,12-13,15-16,28H,11,14,17H2,1-3H3,(H,29,33)

InChI Key

HCBMKTCZEPAEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.45

Polar Surface Area

44.848

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C198-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0469?
Check Price and Availability of C198-0469, 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 C198-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0469
  • 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 C198-0469 available by request