K953-0464 Screening compound: benzyl 2-{[2-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

K953-0464 Screening compound: benzyl 2-{[2-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
K953-0464 Screening compound: benzyl 2-{[2-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0464
benzyl 2-{[2-(ethoxycarbonyl)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

K953-0464

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(C(CCC1)N1C(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C22H24N2O5/c1-2-28-21(26)17-11-6-7-12-18(17)23-20(25)19-13-8-14-24(19)22(27)29-15-16-9-4-3-5-10-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,23,25)/t19-/m0/s1

InChI Key

GNYPGYGHBIJUCR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27225618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-3.96

Polar Surface Area

66.522

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

K953-0464 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 K953-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0464?
Check Price and Availability of K953-0464, 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 K953-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0464
  • 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 K953-0464 available by request