Y031-2194 Screening compound: 3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

Y031-2194 Screening compound: 3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
Y031-2194 Screening compound: 3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2194
3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

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

Y031-2194

Molecular Formula

C18H17ClN2O2 (C18 H17 ClN2 O2)

Compound Name

3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

IUPAC name

3-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C18H17ClN2O2/c1-23-15-5-6-17-16(10-15)13(11-21-17)7-8-20-18(22)12-3-2-4-14(19)9-12/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)

InChI Key

DVGBXZNCTCMKAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.19

Polar Surface Area

41.908

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y031-2194 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Structure:
  • Cyclic compounds
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-2194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2194?
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What is the minimum amount of Y031-2194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2194
  • 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 Y031-2194 available by request