7286-2244 Screening compound: methyl 2-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}-4,5-dimethoxybenzoate

7286-2244 Screening compound: methyl 2-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}-4,5-dimethoxybenzoate
7286-2244 Screening compound: methyl 2-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7286-2244
methyl 2-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}-4,5-dimethoxybenzoate

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

7286-2244

Molecular Formula

C21H20N6O6 (C21 H20 N6 O6)

Compound Name

methyl 2-{2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetamido}-4,5-dimethoxybenzoate

IUPAC name

methyl 2-{2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]acetamido}-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(Cn1c(-c2nonc2N)nc2c1cccc2)=O)=O

InChI

InChI=1S/C21H20N6O6/c1-30-15-8-11(21(29)32-3)13(9-16(15)31-2)23-17(28)10-27-14-7-5-4-6-12(14)24-20(27)18-19(22)26-33-25-18/h4-9H,10H2,1-3H3,(H2,22,26)(H,23,28)

InChI Key

KTWFQFLPAVMXEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-3.12

Polar Surface Area

125.867

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

7286-2244 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 7286-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7286-2244?
Check Price and Availability of 7286-2244, 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 7286-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7286-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7286-2244
  • 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 7286-2244 available by request