C449-0136 Screening compound: 1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

C449-0136 Screening compound: 1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
C449-0136 Screening compound: 1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C449-0136
1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]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

C449-0136

Molecular Formula

C23H22FN3OS (C23 H22 FN3 OS)

Compound Name

1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

IUPAC name

1-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

SMILES

Cc1c(CCN(Cc2ccco2)C(Nc(cc2)ccc2F)=S)c(cccc2)c2[nH]1

InChI

InChI=1S/C23H22FN3OS/c1-16-20(21-6-2-3-7-22(21)25-16)12-13-27(15-19-5-4-14-28-19)23(29)26-18-10-8-17(24)9-11-18/h2-11,14,25H,12-13,15H2,1H3,(H,26,29)

InChI Key

CYHHMCLBZDVITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

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

5.393

Distribution Coefficient, logD

5.393

Water Solubility, LogSw

-5.64

Polar Surface Area

28.081

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C449-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C449-0136?
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What is the minimum amount of C449-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C449-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C449-0136
  • 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 C449-0136 available by request