C198-0278 Screening compound: 3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-4-yl)methyl]thiourea

C198-0278 Screening compound: 3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-4-yl)methyl]thiourea
C198-0278 Screening compound: 3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-3-[(pyridin-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0278
3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(2-phenylethyl)-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

C198-0278

Molecular Formula

C26H27FN4S (C26 H27 FN4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCN(Cc2ccncc2)C(NCCc2ccccc2)=S)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C26H27FN4S/c1-19-23(24-17-22(27)7-8-25(24)30-19)12-16-31(18-21-9-13-28-14-10-21)26(32)29-15-11-20-5-3-2-4-6-20/h2-10,13-14,17,30H,11-12,15-16,18H2,1H3,(H,29,32)

InChI Key

LHJJGCLHTWJGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.25

Polar Surface Area

30.924

Acid Dissociation Constant (pKa)

16.70

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 C198-0278 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 C198-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0278
  • 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 C198-0278 available by request