Y042-7180 Screening compound: 2-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-[2-(1H-imidazol-4-yl)ethyl]acetamide

Y042-7180 Screening compound: 2-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-[2-(1H-imidazol-4-yl)ethyl]acetamide
Y042-7180 Screening compound: 2-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-[2-(1H-imidazol-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7180
2-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-[2-(1H-imidazol-4-yl)ethyl]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

Y042-7180

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

2-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-[2-(1H-imidazol-4-yl)ethyl]acetamide

IUPAC name

2-{511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}-N-[2-(1H-imidazol-4-yl)ethyl]acetamide

SMILES

O=C(CN(C(c(cccc1)c1C1=O)N1c1c2cccc1)C2=O)NCCc1c[nH]cn1

InChI

InChI=1S/C22H19N5O3/c28-19(24-10-9-14-11-23-13-25-14)12-26-20-15-5-1-2-6-16(15)22(30)27(20)18-8-4-3-7-17(18)21(26)29/h1-8,11,13,20H,9-10,12H2,(H,23,25)(H,24,28)/t20-/m1/s1

InChI Key

QFMMVHRYSCJVNX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD28349870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.649

Distribution Coefficient, logD

0.551

Water Solubility, LogSw

-2.28

Polar Surface Area

76.830

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

Y042-7180 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y042-7180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7180?
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What is the minimum amount of Y042-7180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7180
  • 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 Y042-7180 available by request