1348-0777 Screening compound: N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]benzamide

1348-0777 Screening compound: N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]benzamide
1348-0777 Screening compound: N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-0777
N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]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

1348-0777

Molecular Formula

C25H18BrN5O5 (C25 H18 BrN5 O5)

Compound Name

N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-1-{N'-[(3Z)-5-bromo-1-methyl-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}-2-(4-nitrophenyl)eth-1-en-1-yl]benzamide

SMILES

CN(c(ccc(Br)c1)c1/C1=N/NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)ccc2[N+]([O-])=O)=O)C1=O

InChI

InChI=1S/C25H18BrN5O5/c1-30-21-12-9-17(26)14-19(21)22(25(30)34)28-29-24(33)20(27-23(32)16-5-3-2-4-6-16)13-15-7-10-18(11-8-15)31(35)36/h2-14H,1H3,(H,27,32)(H,29,33)

InChI Key

YLOQGRIYUTZNNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-4.40

Polar Surface Area

104.933

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

1348-0777 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1348-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-0777?
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What is the minimum amount of 1348-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-0777
  • 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 1348-0777 available by request