Y042-7527 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(4-hydroxyphenyl)propanamide

Y042-7527 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(4-hydroxyphenyl)propanamide
Y042-7527 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(4-hydroxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7527
3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(4-hydroxyphenyl)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

Y042-7527

Molecular Formula

C26H23N3O6 (C26 H23 N3 O6)

Compound Name

3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-(4-hydroxyphenyl)propanamide

IUPAC name

3-{910-dimethoxy-511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}-N-(4-hydroxyphenyl)propanamide

SMILES

COc(ccc(C(N1c2c3cccc2)N(CCC(Nc(cc2)ccc2O)=O)C3=O)c2C1=O)c2OC

InChI

InChI=1S/C26H23N3O6/c1-34-20-12-11-18-22(23(20)35-2)26(33)29-19-6-4-3-5-17(19)25(32)28(24(18)29)14-13-21(31)27-15-7-9-16(30)10-8-15/h3-12,24,30H,13-14H2,1-2H3,(H,27,31)/t24-/m1/s1

InChI Key

FZPMYVCLJUYLBR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD28349628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-3.03

Polar Surface Area

86.816

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

Y042-7527 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y042-7527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7527?
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What is the minimum amount of Y042-7527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7527
  • 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 Y042-7527 available by request