K869-0147 Screening compound: 1,3-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate

K869-0147 Screening compound: 1,3-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate
K869-0147 Screening compound: 1,3-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0147
1,3-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate

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

K869-0147

Molecular Formula

C20H26N2O7 (C20 H26 N2 O7)

Compound Name

1,3-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate

IUPAC name

13-diethyl 2-({1-[(benzyloxy)carbonyl]pyrrolidin-2-yl}formamido)propanedioate

SMILES

CCOC(C(C(OCC)=O)NC(C(CCC1)N1C(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C20H26N2O7/c1-3-27-18(24)16(19(25)28-4-2)21-17(23)15-11-8-12-22(15)20(26)29-13-14-9-6-5-7-10-14/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3,(H,21,23)/t15-/m0/s1

InChI Key

AMAZIKTZIODNSR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02939716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-1.98

Polar Surface Area

88.919

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K869-0147 in Drug Discovery

Included in Screening Libraries

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

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
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 K869-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0147?
Check Price and Availability of K869-0147, 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 K869-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0147
  • 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 K869-0147 available by request