K784-7045 Screening compound: diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate

K784-7045 Screening compound: diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate
K784-7045 Screening compound: diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7045
diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate

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

K784-7045

Molecular Formula

C21H27Cl2N2O3PS (C21 H27 Cl2 N2 O3 PS)

Compound Name

diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate

IUPAC name

diethyl ({[(3-chloro-4-methylphenyl)carbamothioyl][2-(4-chlorophenyl)ethyl]amino}methyl)phosphonate

SMILES

CCOP(CN(CCc(cc1)ccc1Cl)C(Nc1cc(Cl)c(C)cc1)=S)(OCC)=O

InChI

InChI=1S/C21H27Cl2N2O3PS/c1-4-27-29(26,28-5-2)15-25(13-12-17-7-9-18(22)10-8-17)21(30)24-19-11-6-16(3)20(23)14-19/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,30)

InChI Key

RWBVVDSIUUQBJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.719

Distribution Coefficient, logD

5.719

Water Solubility, LogSw

-6.05

Polar Surface Area

38.119

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K784-7045 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7045?
Check Price and Availability of K784-7045, 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 K784-7045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7045
  • 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 K784-7045 available by request