Y040-2799 Screening compound: 3-[4-(azepan-1-yl)-4-oxobutyl]-3,4-dihydroquinazolin-4-one

Y040-2799 Screening compound: 3-[4-(azepan-1-yl)-4-oxobutyl]-3,4-dihydroquinazolin-4-one
Y040-2799 Screening compound: 3-[4-(azepan-1-yl)-4-oxobutyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2799
3-[4-(azepan-1-yl)-4-oxobutyl]-3,4-dihydroquinazolin-4-one

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

Y040-2799

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

3-[4-(azepan-1-yl)-4-oxobutyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-[4-(azepan-1-yl)-4-oxobutyl]-34-dihydroquinazolin-4-one

SMILES

O=C(CCCN(C=Nc1c2cccc1)C2=O)N1CCCCCC1

InChI

InChI=1S/C18H23N3O2/c22-17(20-11-5-1-2-6-12-20)10-7-13-21-14-19-16-9-4-3-8-15(16)18(21)23/h3-4,8-9,14H,1-2,5-7,10-13H2

InChI Key

SXMKWGKUFJUXOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06782524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.266

Distribution Coefficient, logD

1.266

Water Solubility, LogSw

-2.03

Polar Surface Area

43.041

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y040-2799 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with Y040-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2799?
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What is the minimum amount of Y040-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2799
  • 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 Y040-2799 available by request