1691-0047 Screening compound: 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile

1691-0047 Screening compound: 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile
1691-0047 Screening compound: 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1691-0047
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-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

1691-0047

Molecular Formula

C16H15N5O3 (C16 H15 N5 O3)

Compound Name

4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile

IUPAC name

4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazin-1-yl]pyridine-3-carbonitrile

SMILES

Cc(nc1N/N=C/c(cccc2)c2[N+]([O-])=O)cc(COC)c1C#N

InChI

InChI=1S/C16H15N5O3/c1-11-7-13(10-24-2)14(8-17)16(19-11)20-18-9-12-5-3-4-6-15(12)21(22)23/h3-7,9H,10H2,1-2H3,(H,19,20)

InChI Key

ZYBLGXRHGBBWHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00390778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.35

Polar Surface Area

88.998

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1691-0047 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 1691-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1691-0047?
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What is the minimum amount of 1691-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1691-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1691-0047
  • 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 1691-0047 available by request