Y040-9974 Screening compound: N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide

Y040-9974 Screening compound: N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide
Y040-9974 Screening compound: N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9974
N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide

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

Y040-9974

Molecular Formula

C17H15ClN2O (C17 H15 ClN2 O)

Compound Name

N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide

IUPAC name

N-benzyl-2-(5-chloro-1H-indol-1-yl)acetamide

SMILES

O=C(Cn(cc1)c(cc2)c1cc2Cl)NCc1ccccc1

InChI

InChI=1S/C17H15ClN2O/c18-15-6-7-16-14(10-15)8-9-20(16)12-17(21)19-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21)

InChI Key

AUDBLFMFOQRFIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12213078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.77

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

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.25

Polar Surface Area

26.549

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

Y040-9974 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9974?
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What is the minimum amount of Y040-9974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9974
  • 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 Y040-9974 available by request