K869-0182 Screening compound: benzyl 2-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

K869-0182 Screening compound: benzyl 2-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
K869-0182 Screening compound: benzyl 2-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0182
benzyl 2-[(3,5-dimethoxyphenyl)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

K869-0182

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

benzyl 2-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

IUPAC name

benzyl 2-[(35-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

SMILES

COc1cc(NC(C(CCC2)N2C(OCc2ccccc2)=O)=O)cc(OC)c1

InChI

InChI=1S/C21H24N2O5/c1-26-17-11-16(12-18(13-17)27-2)22-20(24)19-9-6-10-23(19)21(25)28-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,22,24)/t19-/m0/s1

InChI Key

XTMOJOCSRZLYSB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02939728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.73

Polar Surface Area

61.553

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K869-0182 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K869-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0182?
Check Price and Availability of K869-0182, 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 K869-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0182
  • 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 K869-0182 available by request