K869-0335 Screening compound: benzyl 2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carboxylate

K869-0335 Screening compound: benzyl 2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carboxylate
K869-0335 Screening compound: benzyl 2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0335
benzyl 2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-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

K869-0335

Molecular Formula

C25H32N2O5 (C25 H32 N2 O5)

Compound Name

benzyl 2-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carboxylate

IUPAC name

benzyl 2-{[2-(34-diethoxyphenyl)ethyl]carbamoyl}pyrrolidine-1-carboxylate

SMILES

CCOc(ccc(CCNC(C(CCC1)N1C(OCc1ccccc1)=O)=O)c1)c1OCC

InChI

InChI=1S/C25H32N2O5/c1-3-30-22-13-12-19(17-23(22)31-4-2)14-15-26-24(28)21-11-8-16-27(21)25(29)32-18-20-9-6-5-7-10-20/h5-7,9-10,12-13,17,21H,3-4,8,11,14-16,18H2,1-2H3,(H,26,28)/t21-/m0/s1

InChI Key

JTPKNPVSMFOXJN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03020066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.31

Polar Surface Area

62.050

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K869-0335 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K869-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0335?
Check Price and Availability of K869-0335, 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 K869-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0335
  • 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 K869-0335 available by request