Y042-7276 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)butanamide

Y042-7276 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)butanamide
Y042-7276 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7276
4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)butanamide

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

Y042-7276

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)butanamide

IUPAC name

4-{511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}-N-[(oxan-4-yl)methyl]butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1C1=O)N1c1c2cccc1)C2=O)NCC1CCOCC1

InChI

InChI=1S/C25H27N3O4/c29-22(26-16-17-11-14-32-15-12-17)10-5-13-27-23-18-6-1-2-7-19(18)25(31)28(23)21-9-4-3-8-20(21)24(27)30/h1-4,6-9,17,23H,5,10-16H2,(H,26,29)/t23-/m1/s1

InChI Key

FFIXPQNQUJMUFL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD28348901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-2.15

Polar Surface Area

63.274

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y042-7276 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 Y042-7276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7276?
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What is the minimum amount of Y042-7276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7276
  • 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 Y042-7276 available by request