1548-0856 Screening compound: N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

1548-0856 Screening compound: N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide
1548-0856 Screening compound: N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0856
N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

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

1548-0856

Molecular Formula

C21H18N4O4 (C21 H18 N4 O4)

Compound Name

N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

IUPAC name

N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-2-phenoxyacetamide

SMILES

C#CCN(c(cccc1)c1/C1=N/NC(CNC(COc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C21H18N4O4/c1-2-12-25-17-11-7-6-10-16(17)20(21(25)28)24-23-18(26)13-22-19(27)14-29-15-8-4-3-5-9-15/h1,3-11H,12-14H2,(H,22,27)(H,23,26)

InChI Key

XCDKXRJLFUDQNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.07

Polar Surface Area

81.596

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1548-0856 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1548-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0856?
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What is the minimum amount of 1548-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0856
  • 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 1548-0856 available by request