Y031-6696 Screening compound: N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline

Y031-6696 Screening compound: N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline
Y031-6696 Screening compound: N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6696
N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline

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

Y031-6696

Molecular Formula

C13H18N2O (C13 H18 N2 O)

Compound Name

N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-4-(pyrrolidine-1-carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N1CCCC1)=O

InChI

InChI=1S/C13H18N2O/c1-14(2)12-7-5-11(6-8-12)13(16)15-9-3-4-10-15/h5-8H,3-4,9-10H2,1-2H3

InChI Key

KXAHFIICUHOQJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-2.28

Polar Surface Area

20.057

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y031-6696 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6696?
Check Price and Availability of Y031-6696, 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 Y031-6696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6696
  • 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 Y031-6696 available by request