8018-3385 Screening compound: 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde

8018-3385 Screening compound: 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde
8018-3385 Screening compound: 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3385
3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]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

8018-3385

Molecular Formula

C16H15BrO3 (C16 H15 BrO3)

Compound Name

3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde

IUPAC name

3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde

SMILES

Cc1cccc(COc(c(OC)cc(C=O)c2)c2Br)c1

InChI

InChI=1S/C16H15BrO3/c1-11-4-3-5-12(6-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3

InChI Key

MCRZEGYDSTZPBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.57

Polar Surface Area

29.429

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-3385 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 8018-3385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3385?
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What is the minimum amount of 8018-3385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3385
  • 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 8018-3385 available by request