1805-1325 Screening compound: (2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide

1805-1325 Screening compound: (2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide
1805-1325 Screening compound: (2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1805-1325
(2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide

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

1805-1325

Molecular Formula

C17H13N5O6 (C17 H13 N5 O6)

Compound Name

(2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide

IUPAC name

(2E)-3-(furan-2-yl)-N-({N'-[(3E)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide

SMILES

[O-][N+](c(cc1)cc(/C2=N\NC(CNC(/C=C/c3ccco3)=O)=O)c1NC2=O)=O

InChI

InChI=1S/C17H13N5O6/c23-14(6-4-11-2-1-7-28-11)18-9-15(24)20-21-16-12-8-10(22(26)27)3-5-13(12)19-17(16)25/h1-8H,9H2,(H,18,23)(H,20,24)(H,19,21,25)

InChI Key

UVPHHUZWKVMZBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.59

Polar Surface Area

124.753

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1805-1325 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1805-1325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1805-1325?
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What is the minimum amount of 1805-1325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1325
  • 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 1805-1325 available by request