E843-0049 Screening compound: ethyl 2-(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}acetamido)benzoate

E843-0049 Screening compound: ethyl 2-(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}acetamido)benzoate
E843-0049 Screening compound: ethyl 2-(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}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-0049
ethyl 2-(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}acetamido)benzoate

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

E843-0049

Molecular Formula

C24H21N5O8 (C24 H21 N5 O8)

Compound Name

ethyl 2-(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}acetamido)benzoate

IUPAC name

ethyl 2-(2-{7-[(3-methyl-124-oxadiazol-5-yl)methyl]-68-dioxo-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-5-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cc1OCOc1c1)c1C(N1Cc2nc(C)no2)=O)C1=O)=O)=O

InChI

InChI=1S/C24H21N5O8/c1-3-34-23(32)14-6-4-5-7-16(14)26-20(30)10-28-17-9-19-18(35-12-36-19)8-15(17)22(31)29(24(28)33)11-21-25-13(2)27-37-21/h4-9H,3,10-12H2,1-2H3,(H,26,30)

InChI Key

FPEDKCQIIFCZOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.39

Polar Surface Area

122.815

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E843-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-0049?
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What is the minimum amount of E843-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-0049
  • 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 E843-0049 available by request