K659-0364 Screening compound: ethyl 4-(4-{[2-(4-chlorophenyl)ethyl]amino}-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzoyl)piperazine-1-carboxylate

K659-0364 Screening compound: ethyl 4-(4-{[2-(4-chlorophenyl)ethyl]amino}-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzoyl)piperazine-1-carboxylate
K659-0364 Screening compound: ethyl 4-(4-{[2-(4-chlorophenyl)ethyl]amino}-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzoyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0364
ethyl 4-(4-{[2-(4-chlorophenyl)ethyl]amino}-3-{[3-(trifluoromethyl)phenyl]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

K659-0364

Molecular Formula

C29H30ClF3N4O5S (C29 H30 ClF3 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c1NCCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C29H30ClF3N4O5S/c1-2-42-28(39)37-16-14-36(15-17-37)27(38)21-8-11-25(34-13-12-20-6-9-23(30)10-7-20)26(18-21)43(40,41)35-24-5-3-4-22(19-24)29(31,32)33/h3-11,18-19,34-35H,2,12-17H2,1H3

InChI Key

AXRNJTCFQDVVRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-5.71

Polar Surface Area

89.695

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K659-0364 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 K659-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0364?
Check Price and Availability of K659-0364, 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 K659-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0364
  • 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 K659-0364 available by request