K953-0465 Screening compound: benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

K953-0465 Screening compound: benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
K953-0465 Screening compound: benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0465
benzyl 2-{[4-(methoxycarbonyl)phenyl]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

K953-0465

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

IUPAC name

benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

SMILES

COC(c(cc1)ccc1NC(C(CCC1)N1C(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H22N2O5/c1-27-20(25)16-9-11-17(12-10-16)22-19(24)18-8-5-13-23(18)21(26)28-14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,22,24)/t18-/m0/s1

InChI Key

XUCYOEAFQHZINS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15115478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.61

Polar Surface Area

67.640

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

K953-0465 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 K953-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0465?
Check Price and Availability of K953-0465, 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 K953-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0465
  • 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 K953-0465 available by request