Y043-7404 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N-(1,3,4-thiadiazol-2-yl)butanamide

Y043-7404 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N-(1,3,4-thiadiazol-2-yl)butanamide
Y043-7404 Screening compound: 4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N-(1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7404
4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N-(1,3,4-thiadiazol-2-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

Y043-7404

Molecular Formula

C21H17N5O3S (C21 H17 N5 O3 S)

Compound Name

4-[5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N-(1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

4-{511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}-N-(134-thiadiazol-2-yl)butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1C1=O)N1c1c2cccc1)C2=O)Nc1nncs1

InChI

InChI=1S/C21H17N5O3S/c27-17(23-21-24-22-12-30-21)10-5-11-25-18-13-6-1-2-7-14(13)20(29)26(18)16-9-4-3-8-15(16)19(25)28/h1-4,6-9,12,18H,5,10-11H2,(H,23,24,27)/t18-/m1/s1

InChI Key

LBSMVXNFSQRZON-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31751744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.122

Distribution Coefficient, logD

1.114

Water Solubility, LogSw

-2.30

Polar Surface Area

77.427

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

Y043-7404 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-7404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7404?
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What is the minimum amount of Y043-7404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7404
  • 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 Y043-7404 available by request