K784-4417 Screening compound: 1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

K784-4417 Screening compound: 1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea
K784-4417 Screening compound: 1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4417
1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]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

K784-4417

Molecular Formula

C21H25FN2S2 (C21 H25 FN2 S2)

Compound Name

1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

IUPAC name

1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

SMILES

CSc1cccc(NC(N(Cc(cc2)ccc2F)C2CCCCC2)=S)c1

InChI

InChI=1S/C21H25FN2S2/c1-26-20-9-5-6-18(14-20)23-21(25)24(19-7-3-2-4-8-19)15-16-10-12-17(22)13-11-16/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,23,25)

InChI Key

CODXPVWXTAZQDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.017

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-5.62

Polar Surface Area

9.673

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K784-4417 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4417?
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What is the minimum amount of K784-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4417
  • 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 K784-4417 available by request