Y040-3250 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

Y040-3250 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Y040-3250 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3250
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]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

Y040-3250

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]acetamide

SMILES

O=C(CSC(N1)=Nc(cccc2)c2C1=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C20H18N4O2S/c25-18(21-10-9-13-11-22-16-7-3-1-5-14(13)16)12-27-20-23-17-8-4-2-6-15(17)19(26)24-20/h1-8,11,22H,9-10,12H2,(H,21,25)(H,23,24,26)

InChI Key

DMSWBRJFEOSOII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09849590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.015

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.77

Polar Surface Area

68.685

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y040-3250 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3250?
Check Price and Availability of Y040-3250, 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 Y040-3250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3250
  • 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 Y040-3250 available by request