K784-4260 Screening compound: 1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)thiourea

K784-4260 Screening compound: 1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)thiourea
K784-4260 Screening compound: 1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4260
1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)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

K784-4260

Molecular Formula

C21H25FN2S (C21 H25 FN2 S)

Compound Name

1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)thiourea

IUPAC name

1-cyclohexyl-1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)thiourea

SMILES

Cc1cccc(NC(N(Cc(cccc2)c2F)C2CCCCC2)=S)c1

InChI

InChI=1S/C21H25FN2S/c1-16-8-7-10-18(14-16)23-21(25)24(19-11-3-2-4-12-19)15-17-9-5-6-13-20(17)22/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,25)

InChI Key

PHIBAHFIHJLHSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.362

Distribution Coefficient, logD

6.362

Water Solubility, LogSw

-5.71

Polar Surface Area

9.673

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K784-4260 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-4260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4260?
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What is the minimum amount of K784-4260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4260
  • 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 K784-4260 available by request