1805-1323 Screening compound: (2E)-3-(2-methoxyphenyl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide

1805-1323 Screening compound: (2E)-3-(2-methoxyphenyl)-N-({N'-[(3E)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)prop-2-enamide
1805-1323 Screening compound: (2E)-3-(2-methoxyphenyl)-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 1805-1323
(2E)-3-(2-methoxyphenyl)-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

1805-1323

Molecular Formula

C20H17N5O6 (C20 H17 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/C(NCC(N/N=C(\c(cc(cc2)[N+]([O-])=O)c2N2)/C2=O)=O)=O)cccc1

InChI

InChI=1S/C20H17N5O6/c1-31-16-5-3-2-4-12(16)6-9-17(26)21-11-18(27)23-24-19-14-10-13(25(29)30)7-8-15(14)22-20(19)28/h2-10H,11H2,1H3,(H,21,26)(H,23,27)(H,22,24,28)

InChI Key

GSOGMBDNJNEHEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.49

Polar Surface Area

124.634

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1805-1323 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1805-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1805-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1805-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1805-1323
  • 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 1805-1323 available by request