C094-0301 Screening compound: benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]carbamoyl}pyrrolidine-1-carboxylate

C094-0301 Screening compound: benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]carbamoyl}pyrrolidine-1-carboxylate
C094-0301 Screening compound: benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]carbamoyl}pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0301
benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]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

C094-0301

Molecular Formula

C29H31N3O6 (C29 H31 N3 O6)

Compound Name

benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]carbamoyl}pyrrolidine-1-carboxylate

IUPAC name

benzyl 2-{[(4-methoxyphenyl)[(4-methoxyphenyl)carbamoyl]methyl]carbamoyl}pyrrolidine-1-carboxylate

SMILES

COc1ccc(C(C(Nc(cc2)ccc2OC)=O)NC(C(CCC2)N2C(OCc2ccccc2)=O)=O)cc1

InChI

InChI=1S/C29H31N3O6/c1-36-23-14-10-21(11-15-23)26(28(34)30-22-12-16-24(37-2)17-13-22)31-27(33)25-9-6-18-32(25)29(35)38-19-20-7-4-3-5-8-20/h3-5,7-8,10-17,25-26H,6,9,18-19H2,1-2H3,(H,30,34)(H,31,33)

InChI Key

DGRLCXQARJOORR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.22

Polar Surface Area

85.319

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

C094-0301 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 C094-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0301?
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What is the minimum amount of C094-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0301
  • 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 C094-0301 available by request