K869-0145 Screening compound: benzyl 2-[(2,6-difluorophenyl)carbamoyl]pyrrolidine-1-carboxylate

K869-0145 Screening compound: benzyl 2-[(2,6-difluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
K869-0145 Screening compound: benzyl 2-[(2,6-difluorophenyl)carbamoyl]pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0145
benzyl 2-[(2,6-difluorophenyl)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

K869-0145

Molecular Formula

C19H18F2N2O3 (C19 H18 F2 N2 O3)

Compound Name

benzyl 2-[(2,6-difluorophenyl)carbamoyl]pyrrolidine-1-carboxylate

IUPAC name

benzyl 2-[(26-difluorophenyl)carbamoyl]pyrrolidine-1-carboxylate

SMILES

O=C(C(CCC1)N1C(OCc1ccccc1)=O)Nc(c(F)ccc1)c1F

InChI

InChI=1S/C19H18F2N2O3/c20-14-8-4-9-15(21)17(14)22-18(24)16-10-5-11-23(16)19(25)26-12-13-6-2-1-3-7-13/h1-4,6-9,16H,5,10-12H2,(H,22,24)/t16-/m0/s1

InChI Key

YULXHMVSDSMPLL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02939715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.53

Polar Surface Area

45.070

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

K869-0145 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 K869-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0145?
Check Price and Availability of K869-0145, 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 K869-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0145
  • 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 K869-0145 available by request