Y043-5537 Screening compound: (2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylethanamide

Y043-5537 Screening compound: (2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylethanamide
Y043-5537 Screening compound: (2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylethanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5537
(2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylethanamide

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

Y043-5537

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

(2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylethanamide

IUPAC name

(2S)-N-{4-[2-(dimethylamino)ethoxy]phenyl}-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

CN(C)CCOc(cc1)ccc1NC(C(c1ccccc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C26H27N3O3/c1-28(2)16-17-32-22-14-12-21(13-15-22)27-25(30)24(19-8-4-3-5-9-19)29-18-20-10-6-7-11-23(20)26(29)31/h3-15,24H,16-18H2,1-2H3,(H,27,30)/t24-/m1/s1

InChI Key

KKBZLIJLEMQUHM-XMMPIXPASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.84

Polar Surface Area

50.386

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

Y043-5537 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-5537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5537?
Check Price and Availability of Y043-5537, 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 Y043-5537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5537
  • 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 Y043-5537 available by request