K784-3997 Screening compound: 4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

K784-3997 Screening compound: 4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
K784-3997 Screening compound: 4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3997
4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

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

K784-3997

Molecular Formula

C23H21BrN2O2S (C23 H21 BrN2 O2 S)

Compound Name

4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

IUPAC name

4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid

SMILES

Cc1cccc(NC(N(Cc(cc2)ccc2C(O)=O)Cc(cc2)ccc2Br)=S)c1

InChI

InChI=1S/C23H21BrN2O2S/c1-16-3-2-4-21(13-16)25-23(29)26(15-18-7-11-20(24)12-8-18)14-17-5-9-19(10-6-17)22(27)28/h2-13H,14-15H2,1H3,(H,25,29)(H,27,28)

InChI Key

YIYSDQGAXIXXLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.145

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-5.26

Polar Surface Area

38.836

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K784-3997 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-3997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3997?
Check Price and Availability of K784-3997, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K784-3997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3997
  • 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 K784-3997 available by request