C094-0376 Screening compound: benzyl 2-{[(4-methoxyphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]carbamoyl}pyrrolidine-1-carboxylate

C094-0376 Screening compound: benzyl 2-{[(4-methoxyphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]carbamoyl}pyrrolidine-1-carboxylate
C094-0376 Screening compound: benzyl 2-{[(4-methoxyphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]carbamoyl}pyrrolidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0376
benzyl 2-{[(4-methoxyphenyl)({[4-(propan-2-yl)phenyl]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

C094-0376

Molecular Formula

C31H35N3O5 (C31 H35 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C(c(cc1)ccc1OC)NC(C(CCC1)N1C(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C31H35N3O5/c1-21(2)23-11-15-25(16-12-23)32-30(36)28(24-13-17-26(38-3)18-14-24)33-29(35)27-10-7-19-34(27)31(37)39-20-22-8-5-4-6-9-22/h4-6,8-9,11-18,21,27-28H,7,10,19-20H2,1-3H3,(H,32,36)(H,33,35)

InChI Key

HWHRKUAZSDSKOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.359

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.28

Polar Surface Area

77.775

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.30

C094-0376 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C094-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0376?
Check Price and Availability of C094-0376, 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 C094-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0376
  • 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 C094-0376 available by request