Y043-5162 Screening compound: N~1~-(1H-1,3-benzimidazol-5-yl)-2-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]acetamide

Y043-5162 Screening compound: N~1~-(1H-1,3-benzimidazol-5-yl)-2-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]acetamide
Y043-5162 Screening compound: N~1~-(1H-1,3-benzimidazol-5-yl)-2-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5162
N~1~-(1H-1,3-benzimidazol-5-yl)-2-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]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

Y043-5162

Molecular Formula

C26H21N5O5 (C26 H21 N5 O5)

Compound Name

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

IUPAC name

N-(1H-13-benzodiazol-5-yl)-2-{910-dimethoxy-511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}acetamide

SMILES

COc(ccc(C(N1c2c3cccc2)N(CC(Nc(cc2)cc4c2[nH]cn4)=O)C3=O)c2C1=O)c2OC

InChI

InChI=1S/C26H21N5O5/c1-35-20-10-8-16-22(23(20)36-2)26(34)31-19-6-4-3-5-15(19)25(33)30(24(16)31)12-21(32)29-14-7-9-17-18(11-14)28-13-27-17/h3-11,13,24H,12H2,1-2H3,(H,27,28)(H,29,32)/t24-/m1/s1

InChI Key

AYVQIZMPPALJAJ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD28349605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.23

Polar Surface Area

89.750

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

Y043-5162 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-5162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5162?
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What is the minimum amount of Y043-5162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5162
  • 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 Y043-5162 available by request