1548-0827 Screening compound: 2-bromo-N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

1548-0827 Screening compound: 2-bromo-N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide
1548-0827 Screening compound: 2-bromo-N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0827
2-bromo-N-({N'-[(3Z)-2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)benzamide

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

1548-0827

Molecular Formula

C20H15BrN4O3 (C20 H15 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

C#CCN(c(cccc1)c1/C1=N/NC(CNC(c(cccc2)c2Br)=O)=O)C1=O

InChI

InChI=1S/C20H15BrN4O3/c1-2-11-25-16-10-6-4-8-14(16)18(20(25)28)24-23-17(26)12-22-19(27)13-7-3-5-9-15(13)21/h1,3-10H,11-12H2,(H,22,27)(H,23,26)

InChI Key

SDWHLDREMXXNGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.65

Polar Surface Area

74.311

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1548-0827 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 1548-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0827?
Check Price and Availability of 1548-0827, 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 1548-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0827
  • 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 1548-0827 available by request