Y042-7269 Screening compound: N~1~-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]butanamide

Y042-7269 Screening compound: N~1~-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]butanamide
Y042-7269 Screening compound: N~1~-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7269
N~1~-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]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

Y042-7269

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

N~1~-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]butanamide

IUPAC name

N-{4H5H6H-cyclopenta[d][13]thiazol-2-yl}-4-{511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1C1=O)N1c1c2cccc1)C2=O)Nc1nc(CCC2)c2s1

InChI

InChI=1S/C25H22N4O3S/c30-21(27-25-26-18-10-5-12-20(18)33-25)13-6-14-28-22-15-7-1-2-8-16(15)24(32)29(22)19-11-4-3-9-17(19)23(28)31/h1-4,7-9,11,22H,5-6,10,12-14H2,(H,26,27,30)/t22-/m1/s1

InChI Key

BXIKWXOZZOEVMY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD28349949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.60

Polar Surface Area

65.685

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

Y042-7269 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 Y042-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7269?
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What is the minimum amount of Y042-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7269
  • 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 Y042-7269 available by request