3032-3316 Screening compound: N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide

3032-3316 Screening compound: N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide
3032-3316 Screening compound: N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3032-3316
N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide

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

3032-3316

Molecular Formula

C14H12BrN3O3 (C14 H12 BrN3 O3)

Compound Name

N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide

IUPAC name

N'-[(3E)-5-bromo-2-oxo-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-3-ylidene]ethoxycarbohydrazide

SMILES

CCOC(N/N=C(\c(cc(cc1)Br)c1N1CC#C)/C1=O)=O

InChI

InChI=1S/C14H12BrN3O3/c1-3-7-18-11-6-5-9(15)8-10(11)12(13(18)19)16-17-14(20)21-4-2/h1,5-6,8H,4,7H2,2H3,(H,17,20)

InChI Key

PGDFVDNZKXXRQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.53

Polar Surface Area

58.192

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3032-3316 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3032-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3032-3316?
Check Price and Availability of 3032-3316, 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 3032-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3032-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3032-3316
  • 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 3032-3316 available by request