Y043-6231 Screening compound: N-(1-benzyl-4-piperidyl)-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

Y043-6231 Screening compound: N-(1-benzyl-4-piperidyl)-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide
Y043-6231 Screening compound: N-(1-benzyl-4-piperidyl)-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6231
N-(1-benzyl-4-piperidyl)-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

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

Y043-6231

Molecular Formula

C23H27N3OS (C23 H27 N3 OS)

Compound Name

N-(1-benzyl-4-piperidyl)-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide

SMILES

O=C(CC(c1cscc1)n1cccc1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H27N3OS/c27-23(16-22(20-10-15-28-18-20)26-11-4-5-12-26)24-21-8-13-25(14-9-21)17-19-6-2-1-3-7-19/h1-7,10-12,15,18,21-22H,8-9,13-14,16-17H2,(H,24,27)/t22-/m0/s1

InChI Key

OPLYUJGHZZDSFJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32262544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

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

3.801

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-3.99

Polar Surface Area

32.245

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

Y043-6231 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-6231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6231?
Check Price and Availability of Y043-6231, 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 Y043-6231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6231
  • 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 Y043-6231 available by request