Y043-5975 Screening compound: (2S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

Y043-5975 Screening compound: (2S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide
Y043-5975 Screening compound: (2S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5975
(2S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

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

Y043-5975

Molecular Formula

C17H29N3O (C17 H29 N3 O)

Compound Name

(2S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

IUPAC name

(2S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

SMILES

CCN1C(CNC(C(CC(C)C)n2cccc2)=O)CCC1

InChI

InChI=1S/C17H29N3O/c1-4-19-11-7-8-15(19)13-18-17(21)16(12-14(2)3)20-9-5-6-10-20/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3,(H,18,21)/t15?,16-/m0/s1

InChI Key

AWRZSCOGKGAYJC-LYKKTTPLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.76

Polar Surface Area

32.353

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

Y043-5975 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y043-5975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5975?
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What is the minimum amount of Y043-5975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5975
  • 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 Y043-5975 available by request