C198-0188 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea

C198-0188 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea
C198-0188 Screening compound: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0188
3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-3-[(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

C198-0188

Molecular Formula

C26H28N4OS (C26 H28 N4 OS)

Compound Name

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

IUPAC name

3-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-3-[(pyridin-4-yl)methyl]thiourea

SMILES

Cc1c(CCN(Cc2ccncc2)C(Nc(cc2)ccc2OC)=S)c(cc(C)cc2)c2[nH]1

InChI

InChI=1S/C26H28N4OS/c1-18-4-9-25-24(16-18)23(19(2)28-25)12-15-30(17-20-10-13-27-14-11-20)26(32)29-21-5-7-22(31-3)8-6-21/h4-11,13-14,16,28H,12,15,17H2,1-3H3,(H,29,32)

InChI Key

KHXSPVKQSAJUQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.84

Polar Surface Area

37.304

Acid Dissociation Constant (pKa)

14.52

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 C198-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0188
  • 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 C198-0188 available by request