8014-6135 Screening compound: 3-chloro-4-(decyloxy)-5-methoxybenzaldehyde

8014-6135 Screening compound: 3-chloro-4-(decyloxy)-5-methoxybenzaldehyde
8014-6135 Screening compound: 3-chloro-4-(decyloxy)-5-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6135
3-chloro-4-(decyloxy)-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

8014-6135

Molecular Formula

C18H27ClO3 (C18 H27 ClO3)

Compound Name

3-chloro-4-(decyloxy)-5-methoxybenzaldehyde

IUPAC name

3-chloro-4-(decyloxy)-5-methoxybenzaldehyde

SMILES

CCCCCCCCCCOc(c(OC)cc(C=O)c1)c1Cl

InChI

InChI=1S/C18H27ClO3/c1-3-4-5-6-7-8-9-10-11-22-18-16(19)12-15(14-20)13-17(18)21-2/h12-14H,3-11H2,1-2H3

InChI Key

BCGXVWXKBFQZCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.632

Distribution Coefficient, logD

6.632

Water Solubility, LogSw

-6.52

Polar Surface Area

29.619

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

8014-6135 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-6135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6135?
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What is the minimum amount of 8014-6135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6135
  • 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 8014-6135 available by request