4561-0400 Screening compound: 5-bromo-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide

4561-0400 Screening compound: 5-bromo-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide
4561-0400 Screening compound: 5-bromo-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4561-0400
5-bromo-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]furan-2-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

4561-0400

Molecular Formula

C13H8BrN3O3 (C13 H8 BrN3 O3)

Compound Name

5-bromo-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide

IUPAC name

5-bromo-N'-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide

SMILES

O=C(c(o1)ccc1Br)N/N=C(/c(cccc1)c1N1)\C1=O

InChI

InChI=1S/C13H8BrN3O3/c14-10-6-5-9(20-10)12(18)17-16-11-7-3-1-2-4-8(7)15-13(11)19/h1-6H,(H,17,18)(H,15,16,19)

InChI Key

XVYPDQMIWVMNSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03109840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

1.466

Water Solubility, LogSw

-3.04

Polar Surface Area

68.290

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4561-0400 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4561-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4561-0400?
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What is the minimum amount of 4561-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4561-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4561-0400
  • 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 4561-0400 available by request