8018-9537 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-4-methoxybenzaldehyde

8018-9537 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-4-methoxybenzaldehyde
8018-9537 Screening compound: 2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-4-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9537
2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]methyl}-4-methoxybenzaldehyde

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

8018-9537

Molecular Formula

C18H15N5O3 (C18 H15 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(Cn2c(-c3nonc3N)nc3c2cccc3)c(C=O)cc1

InChI

InChI=1S/C18H15N5O3/c1-25-13-7-6-11(10-24)12(8-13)9-23-15-5-3-2-4-14(15)20-18(23)16-17(19)22-26-21-16/h2-8,10H,9H2,1H3,(H2,19,22)

InChI Key

DEWSYSCXVFYSTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.69

Polar Surface Area

88.683

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8018-9537 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-9537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9537?
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What is the minimum amount of 8018-9537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9537
  • 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 8018-9537 available by request