Y041-8568 Screening compound: N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide

Y041-8568 Screening compound: N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide
Y041-8568 Screening compound: N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8568
N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide

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

Y041-8568

Molecular Formula

C19H19ClN2O (C19 H19 ClN2 O)

Compound Name

N-[2-(6-chloro-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide

IUPAC name

N-[2-(6-chloro-1H-indol-1-yl)ethyl]-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NCCn(cc1)c2c1ccc(Cl)c2)=O

InChI

InChI=1S/C19H19ClN2O/c1-13-3-4-16(11-14(13)2)19(23)21-8-10-22-9-7-15-5-6-17(20)12-18(15)22/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,23)

InChI Key

CRIUXFSMDWWTID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.84

Polar Surface Area

26.582

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y041-8568 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y041-8568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8568?
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What is the minimum amount of Y041-8568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8568
  • 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 Y041-8568 available by request