2064-1339 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide

2064-1339 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide
2064-1339 Screening compound: N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2064-1339
N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide

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

2064-1339

Molecular Formula

C17H12BrN3O3 (C17 H12 BrN3 O3)

Compound Name

N'-[(E)-(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide

IUPAC name

N'-[(E)-(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-1H-indole-3-carbohydrazide

SMILES

O=C(c1c[nH]c2c1cccc2)N/N=C/c(cc1OCOc1c1)c1Br

InChI

InChI=1S/C17H12BrN3O3/c18-13-6-16-15(23-9-24-16)5-10(13)7-20-21-17(22)12-8-19-14-4-2-1-3-11(12)14/h1-8,19H,9H2,(H,21,22)

InChI Key

VVRUPQSHUAESLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01352686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.15

Polar Surface Area

62.540

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2064-1339 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2064-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2064-1339?
Check Price and Availability of 2064-1339, 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 2064-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2064-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2064-1339
  • 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 2064-1339 available by request