Y040-9431 Screening compound: 3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile

Y040-9431 Screening compound: 3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile
Y040-9431 Screening compound: 3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9431
3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile

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

Y040-9431

Molecular Formula

C11H7ClN2O (C11 H7 ClN2 O)

Compound Name

3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile

IUPAC name

3-(4-chloro-1H-indol-3-yl)-3-oxopropanenitrile

SMILES

N#CCC(c1c[nH]c2cccc(Cl)c12)=O

InChI

InChI=1S/C11H7ClN2O/c12-8-2-1-3-9-11(8)7(6-14-9)10(15)4-5-13/h1-3,6,14H,4H2

InChI Key

DNVRCOYPRROSOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13176399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

0.435

Water Solubility, LogSw

-3.39

Polar Surface Area

40.848

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y040-9431 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-9431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9431?
Check Price and Availability of Y040-9431, 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 Y040-9431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9431
  • 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 Y040-9431 available by request