1691-0024 Screening compound: 2-{2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

1691-0024 Screening compound: 2-{2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
1691-0024 Screening compound: 2-{2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1691-0024
2-{2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

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

1691-0024

Molecular Formula

C16H14N6O6 (C16 H14 N6 O6)

Compound Name

2-{2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-{2-[(2-hydroxy-35-dinitrophenyl)methylidene]hydrazin-1-yl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc1NN=Cc2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)cc(COC)c1C#N

InChI

InChI=1S/C16H14N6O6/c1-9-3-11(8-28-2)13(6-17)16(19-9)20-18-7-10-4-12(21(24)25)5-14(15(10)23)22(26)27/h3-5,7,23H,8H2,1-2H3,(H,19,20)

InChI Key

VPKDURIMTKHWNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.32

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

-0.845

Water Solubility, LogSw

-3.21

Polar Surface Area

137.859

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1691-0024 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1691-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1691-0024?
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What is the minimum amount of 1691-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1691-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1691-0024
  • 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 1691-0024 available by request