E843-0251 Screening compound: N-benzyl-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide

E843-0251 Screening compound: N-benzyl-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide
E843-0251 Screening compound: N-benzyl-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E843-0251
N-benzyl-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-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

E843-0251

Molecular Formula

C27H21N5O6 (C27 H21 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cc1OCOc1c1)c1C(N1Cc2nc(-c3ccccc3)no2)=O)C1=O)NCc1ccccc1

InChI

InChI=1S/C27H21N5O6/c33-23(28-13-17-7-3-1-4-8-17)14-31-20-12-22-21(36-16-37-22)11-19(20)26(34)32(27(31)35)15-24-29-25(30-38-24)18-9-5-2-6-10-18/h1-12H,13-16H2,(H,28,33)

InChI Key

UXPMHIMVLGCJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.36

Polar Surface Area

104.197

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E843-0251 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E843-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E843-0251?
Check Price and Availability of E843-0251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E843-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E843-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E843-0251
  • 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 E843-0251 available by request