8016-2819 Screening compound: N~2~-(2,6-dimethylphenyl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

8016-2819 Screening compound: N~2~-(2,6-dimethylphenyl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide
8016-2819 Screening compound: N~2~-(2,6-dimethylphenyl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2819
N~2~-(2,6-dimethylphenyl)-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

8016-2819

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

N~2~-(2,6-dimethylphenyl)-N~1~-phenyl-1,2-pyrrolidinedicarboxamide

IUPAC name

N2-(26-dimethylphenyl)-N1-phenylpyrrolidine-12-dicarboxamide

SMILES

Cc1cccc(C)c1NC(C(CCC1)N1C(Nc1ccccc1)=O)=O

InChI

InChI=1S/C20H23N3O2/c1-14-8-6-9-15(2)18(14)22-19(24)17-12-7-13-23(17)20(25)21-16-10-4-3-5-11-16/h3-6,8-11,17H,7,12-13H2,1-2H3,(H,21,25)(H,22,24)/t17-/m0/s1

InChI Key

XWBKBHGTUHRBSK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05855191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.14

Polar Surface Area

47.463

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8016-2819 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 8016-2819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2819?
Check Price and Availability of 8016-2819, 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 8016-2819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2819
  • 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 8016-2819 available by request