C198-0281 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-4-yl)methyl]thiourea

C198-0281 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-4-yl)methyl]thiourea
C198-0281 Screening compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0281
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-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

C198-0281

Molecular Formula

C25H25FN4S (C25 H25 FN4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H25FN4S/c1-17-4-3-5-21(14-17)29-25(31)30(16-19-8-11-27-12-9-19)13-10-22-18(2)28-24-7-6-20(26)15-23(22)24/h3-9,11-12,14-15,28H,10,13,16H2,1-2H3,(H,29,31)

InChI Key

GNNXXEGRJAABGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-4.66

Polar Surface Area

29.760

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C198-0281 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C198-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0281?
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What is the minimum amount of C198-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0281
  • 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 C198-0281 available by request