8016-2818 Screening compound: N~2~-[2-(2-benzylphenoxy)ethyl]-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

8016-2818 Screening compound: N~2~-[2-(2-benzylphenoxy)ethyl]-N~1~-phenyl-1,2-pyrrolidinedicarboxamide
8016-2818 Screening compound: N~2~-[2-(2-benzylphenoxy)ethyl]-N~1~-phenyl-1,2-pyrrolidinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2818
N~2~-[2-(2-benzylphenoxy)ethyl]-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

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

8016-2818

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

N~2~-[2-(2-benzylphenoxy)ethyl]-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

IUPAC name

N2-[2-(2-benzylphenoxy)ethyl]-N1-phenylpyrrolidine-12-dicarboxamide

SMILES

O=C(C(CCC1)N1C(Nc1ccccc1)=O)NCCOc1c(Cc2ccccc2)cccc1

InChI

InChI=1S/C27H29N3O3/c31-26(24-15-9-18-30(24)27(32)29-23-13-5-2-6-14-23)28-17-19-33-25-16-8-7-12-22(25)20-21-10-3-1-4-11-21/h1-8,10-14,16,24H,9,15,17-20H2,(H,28,31)(H,29,32)/t24-/m0/s1

InChI Key

ODBUTVCVJADZNQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05855190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.60

Polar Surface Area

57.255

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.93

8016-2818 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-2818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2818?
Check Price and Availability of 8016-2818, 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 8016-2818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2818
  • 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 8016-2818 available by request