K659-0683 Screening compound: ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate

K659-0683 Screening compound: ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate
K659-0683 Screening compound: ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0683
ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate

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

K659-0683

Molecular Formula

C28H31ClN4O6S (C28 H31 ClN4 O6 S)

Compound Name

ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(S(Nc2cc(OC)ccc2)(=O)=O)c1NCc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C28H31ClN4O6S/c1-3-39-28(35)33-15-13-32(14-16-33)27(34)20-11-12-25(30-19-21-7-4-5-10-24(21)29)26(17-20)40(36,37)31-22-8-6-9-23(18-22)38-2/h4-12,17-18,30-31H,3,13-16,19H2,1-2H3

InChI Key

NFQUPPISPHYMHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.1

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.43

Polar Surface Area

97.397

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K659-0683 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K659-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0683?
Check Price and Availability of K659-0683, 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 K659-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0683
  • 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 K659-0683 available by request