8018-3049 Screening compound: 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde

8018-3049 Screening compound: 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
8018-3049 Screening compound: 3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3049
3-bromo-4-[(2-chlorophenyl)methoxy]-5-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

8018-3049

Molecular Formula

C15H12BrClO3 (C15 H12 BrClO3)

Compound Name

3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde

IUPAC name

3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde

SMILES

COc1cc(C=O)cc(Br)c1OCc(cccc1)c1Cl

InChI

InChI=1S/C15H12BrClO3/c1-19-14-7-10(8-18)6-12(16)15(14)20-9-11-4-2-3-5-13(11)17/h2-8H,9H2,1H3

InChI Key

PCBYMWFGUGMTCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.62

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

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.38

Polar Surface Area

29.429

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-3049 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 8018-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3049?
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What is the minimum amount of 8018-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3049
  • 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 8018-3049 available by request