K869-0381 Screening compound: BENZYL 2-[(3-ETHOXYPROPYL)CARBAMOYL]PYRROLIDINE-1-CARBOXYLATE

K869-0381 Screening compound: BENZYL 2-[(3-ETHOXYPROPYL)CARBAMOYL]PYRROLIDINE-1-CARBOXYLATE
K869-0381 Screening compound: BENZYL 2-[(3-ETHOXYPROPYL)CARBAMOYL]PYRROLIDINE-1-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0381
BENZYL 2-[(3-ETHOXYPROPYL)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

K869-0381

Molecular Formula

C18H26N2O4 (C18 H26 N2 O4)

Compound Name

BENZYL 2-[(3-ETHOXYPROPYL)CARBAMOYL]PYRROLIDINE-1-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOCCCNC(C(CCC1)N1C(OCc1ccccc1)=O)=O

InChI

InChI=1S/C18H26N2O4/c1-2-23-13-7-11-19-17(21)16-10-6-12-20(16)18(22)24-14-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,19,21)/t16-/m0/s1

InChI Key

DQOFFWPWGCSFCL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03020105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.45

Polar Surface Area

55.878

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

K869-0381 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K869-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0381?
Check Price and Availability of K869-0381, 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 K869-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0381
  • 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 K869-0381 available by request