8018-9523 Screening compound: 4-methoxy-3-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzaldehyde

8018-9523 Screening compound: 4-methoxy-3-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzaldehyde
8018-9523 Screening compound: 4-methoxy-3-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9523
4-methoxy-3-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzaldehyde

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

8018-9523

Molecular Formula

C19H15N3O2S (C19 H15 N3 O2 S)

Compound Name

4-methoxy-3-{[2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzaldehyde

IUPAC name

4-methoxy-3-{[2-(13-thiazol-5-yl)-1H-13-benzodiazol-1-yl]methyl}benzaldehyde

SMILES

COc1c(Cn2c(-c3cncs3)nc3c2cccc3)cc(C=O)cc1

InChI

InChI=1S/C19H15N3O2S/c1-24-17-7-6-13(11-23)8-14(17)10-22-16-5-3-2-4-15(16)21-19(22)18-9-20-12-25-18/h2-9,11-12H,10H2,1H3

InChI Key

SULHHXVIJOEIMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-3.84

Polar Surface Area

41.783

Acid Dissociation Constant (pKa)

21.50

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8018-9523 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 8018-9523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9523?
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What is the minimum amount of 8018-9523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9523
  • 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 8018-9523 available by request