1889-2665 Screening compound: 7-chloro-2H-1,3-benzodioxole-5-carbaldehyde

1889-2665 Screening compound: 7-chloro-2H-1,3-benzodioxole-5-carbaldehyde
1889-2665 Screening compound: 7-chloro-2H-1,3-benzodioxole-5-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2665
7-chloro-2H-1,3-benzodioxole-5-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

1889-2665

Molecular Formula

C8H5ClO3 (C8 H5 ClO3)

Compound Name

7-chloro-2H-1,3-benzodioxole-5-carbaldehyde

IUPAC name

7-chloro-2H-13-benzodioxole-5-carbaldehyde

SMILES

O=Cc1cc(Cl)c2OCOc2c1

InChI

InChI=1S/C8H5ClO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2

InChI Key

SFBUWLLIFJURHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01124865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.58

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

2.337

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-2.72

Polar Surface Area

31.197

Acid Dissociation Constant (pKa)

38.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1889-2665 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1889-2665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2665?
Check Price and Availability of 1889-2665, 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 1889-2665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2665
  • 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 1889-2665 available by request