Y040-3266 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide

Y040-3266 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Y040-3266 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3266
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide

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

Y040-3266

Molecular Formula

C21H20N4O2S (C21 H20 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-13(28-21-24-18-9-5-3-7-16(18)20(27)25-21)19(26)22-11-10-14-12-23-17-8-4-2-6-15(14)17/h2-9,12-13,23H,10-11H2,1H3,(H,22,26)(H,24,25,27)/t13-/m0/s1

InChI Key

SCOKGMVYMLGPEJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD09846873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

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

2.803

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.52

Polar Surface Area

68.898

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

Y040-3266 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3266?
Check Price and Availability of Y040-3266, 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 Y040-3266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3266
  • 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 Y040-3266 available by request