8004-3095 Screening compound: 1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

8004-3095 Screening compound: 1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
8004-3095 Screening compound: 1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3095
1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

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

8004-3095

Molecular Formula

C19H30N2O (C19 H30 N2 O)

Compound Name

1-(3-methylbutyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

IUPAC name

1-(3-methylbutyl)-N-(246-trimethylphenyl)pyrrolidine-2-carboxamide

SMILES

CC(C)CCN(CCC1)C1C(Nc1c(C)cc(C)cc1C)=O

InChI

InChI=1S/C19H30N2O/c1-13(2)8-10-21-9-6-7-17(21)19(22)20-18-15(4)11-14(3)12-16(18)5/h11-13,17H,6-10H2,1-5H3,(H,20,22)/t17-/m0/s1

InChI Key

NDTLIXTXZSLPIO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00405634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.68

Polar Surface Area

26.142

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

8004-3095 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8004-3095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3095?
Check Price and Availability of 8004-3095, 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 8004-3095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3095
  • 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 8004-3095 available by request