K784-4454 Screening compound: 3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[3-(methylsulfanyl)phenyl]thiourea

K784-4454 Screening compound: 3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[3-(methylsulfanyl)phenyl]thiourea
K784-4454 Screening compound: 3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[3-(methylsulfanyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4454
3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[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

K784-4454

Molecular Formula

C20H23ClN2S2 (C20 H23 ClN2 S2)

Compound Name

3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[3-(methylsulfanyl)phenyl]thiourea

IUPAC name

3-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-[3-(methylsulfanyl)phenyl]thiourea

SMILES

CSc1cccc(NC(N(Cc(cccc2)c2Cl)C2CCCC2)=S)c1

InChI

InChI=1S/C20H23ClN2S2/c1-25-18-11-6-8-16(13-18)22-20(24)23(17-9-3-4-10-17)14-15-7-2-5-12-19(15)21/h2,5-8,11-13,17H,3-4,9-10,14H2,1H3,(H,22,24)

InChI Key

DGMNKTACDCWCBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391

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

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-6.25

Polar Surface Area

10.039

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K784-4454 in Drug Discovery

Included in Screening Libraries

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 K784-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4454?
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What is the minimum amount of K784-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4454
  • 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 K784-4454 available by request