0739-0160 Screening compound: 6-chloro-4H-1,3-benzodioxine-8-carbaldehyde

0739-0160 Screening compound: 6-chloro-4H-1,3-benzodioxine-8-carbaldehyde
0739-0160 Screening compound: 6-chloro-4H-1,3-benzodioxine-8-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0739-0160
6-chloro-4H-1,3-benzodioxine-8-carbaldehyde

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

0739-0160

Molecular Formula

C9H7ClO3 (C9 H7 ClO3)

Compound Name

6-chloro-4H-1,3-benzodioxine-8-carbaldehyde

IUPAC name

6-chloro-24-dihydro-13-benzodioxine-8-carbaldehyde

SMILES

O=Cc1c2OCOCc2cc(Cl)c1

InChI

InChI=1S/C9H7ClO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-3H,4-5H2

InChI Key

PEASTDAKRGECGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

198.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.44

Polar Surface Area

31.287

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

0739-0160 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 0739-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0739-0160?
Check Price and Availability of 0739-0160, 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 0739-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0739-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0739-0160
  • 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 0739-0160 available by request