Y041-8336 Screening compound: N-[2-(dimethylamino)ethyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)benzamide

Y041-8336 Screening compound: N-[2-(dimethylamino)ethyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)benzamide
Y041-8336 Screening compound: N-[2-(dimethylamino)ethyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8336
N-[2-(dimethylamino)ethyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)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

Y041-8336

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

N-[2-(dimethylamino)ethyl]-4-(4-oxo-3,4-dihydroquinazolin-3-yl)benzamide

IUPAC name

N-[2-(dimethylamino)ethyl]-4-(4-oxo-34-dihydroquinazolin-3-yl)benzamide

SMILES

CN(C)CCNC(c(cc1)ccc1N(C=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C19H20N4O2/c1-22(2)12-11-20-18(24)14-7-9-15(10-8-14)23-13-21-17-6-4-3-5-16(17)19(23)25/h3-10,13H,11-12H2,1-2H3,(H,20,24)

InChI Key

IHXTYDVNXMAGSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13761229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.029

Water Solubility, LogSw

-2.26

Polar Surface Area

54.285

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y041-8336 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y041-8336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8336?
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What is the minimum amount of Y041-8336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8336
  • 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 Y041-8336 available by request