8014-2469 Screening compound: N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

8014-2469 Screening compound: N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-1,2-dicarboxamide
8014-2469 Screening compound: N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2469
N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

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

8014-2469

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-1,2-dicarboxamide

IUPAC name

N2-[(4-tert-butylphenyl)methyl]-N1-phenylpyrrolidine-12-dicarboxamide

SMILES

CC(C)(C)c1ccc(CNC(C(CCC2)N2C(Nc2ccccc2)=O)=O)cc1

InChI

InChI=1S/C23H29N3O2/c1-23(2,3)18-13-11-17(12-14-18)16-24-21(27)20-10-7-15-26(20)22(28)25-19-8-5-4-6-9-19/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)(H,25,28)/t20-/m0/s1

InChI Key

GSFIUJPPVHZLHP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03768382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-3.96

Polar Surface Area

50.181

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

8014-2469 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 8014-2469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2469?
Check Price and Availability of 8014-2469, 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 8014-2469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2469
  • 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 8014-2469 available by request