0781-2499 Screening compound: 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

0781-2499 Screening compound: 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde
0781-2499 Screening compound: 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2499
3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

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

0781-2499

Molecular Formula

C9H9ClO2 (C9 H9 ClO2)

Compound Name

3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde

IUPAC name

3-chloro-6-hydroxy-24-dimethylbenzaldehyde

SMILES

Cc1cc(O)c(C=O)c(C)c1Cl

InChI

InChI=1S/C9H9ClO2/c1-5-3-8(12)7(4-11)6(2)9(5)10/h3-4,12H,1-2H3

InChI Key

NXNLQPJNVDGFOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.510

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.28

Polar Surface Area

30.946

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0781-2499 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0781-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2499?
Check Price and Availability of 0781-2499, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0781-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2499
  • 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 0781-2499 available by request