1679-0863 Screening compound: 3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

1679-0863 Screening compound: 3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
1679-0863 Screening compound: 3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1679-0863
3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]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

1679-0863

Molecular Formula

C16H13BrN4O4 (C16 H13 BrN4 O4)

Compound Name

3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

3-bromo-N-({N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

[O-][N+](c1c(/C=N/NC(CNC(c2cccc(Br)c2)=O)=O)cccc1)=O

InChI

InChI=1S/C16H13BrN4O4/c17-13-6-3-5-11(8-13)16(23)18-10-15(22)20-19-9-12-4-1-2-7-14(12)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)

InChI Key

YASRWPGPXZMQND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.77

Polar Surface Area

93.106

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1679-0863 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1679-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1679-0863?
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What is the minimum amount of 1679-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1679-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1679-0863
  • 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 1679-0863 available by request