E843-0040 Screening compound: N-(2-bromophenyl)-2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide

E843-0040 Screening compound: N-(2-bromophenyl)-2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide
E843-0040 Screening compound: N-(2-bromophenyl)-2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-0040
N-(2-bromophenyl)-2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-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

E843-0040

Molecular Formula

C21H16BrN5O6 (C21 H16 BrN5 O6)

Compound Name

N-(2-bromophenyl)-2-{7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dioxo-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide

IUPAC name

N-(2-bromophenyl)-2-{7-[(3-methyl-124-oxadiazol-5-yl)methyl]-68-dioxo-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-5-yl}acetamide

SMILES

Cc1noc(CN(C(c(cc2OCOc2c2)c2N2CC(Nc(cccc3)c3Br)=O)=O)C2=O)n1

InChI

InChI=1S/C21H16BrN5O6/c1-11-23-19(33-25-11)9-27-20(29)12-6-16-17(32-10-31-16)7-15(12)26(21(27)30)8-18(28)24-14-5-3-2-4-13(14)22/h2-7H,8-10H2,1H3,(H,24,28)

InChI Key

QZWIZTACGIQTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.889

Water Solubility, LogSw

-3.41

Polar Surface Area

102.061

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E843-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E843-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-0040?
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What is the minimum amount of E843-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-0040
  • 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 E843-0040 available by request