1692-0049 Screening compound: 5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide

1692-0049 Screening compound: 5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide
1692-0049 Screening compound: 5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1692-0049
5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide

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

1692-0049

Molecular Formula

C22H19N5O5S (C22 H19 N5 O5 S)

Compound Name

5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide

IUPAC name

5-amino-N'-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-4-cyano-3-methylthiophene-2-carbohydrazide

SMILES

Cc1c(C(NN=Cc(cc(c(OCc2ccccc2)c2)OC)c2[N+]([O-])=O)=O)sc(N)c1C#N

InChI

InChI=1S/C22H19N5O5S/c1-13-16(10-23)21(24)33-20(13)22(28)26-25-11-15-8-18(31-2)19(9-17(15)27(29)30)32-12-14-6-4-3-5-7-14/h3-9,11H,12,24H2,1-2H3,(H,26,28)

InChI Key

IEEVPGYEIPMFHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.83

Polar Surface Area

121.912

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 1692-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1692-0049?
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What is the minimum amount of 1692-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1692-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1692-0049
  • 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 1692-0049 available by request