1679-0904 Screening compound: 2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

1679-0904 Screening compound: 2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
1679-0904 Screening compound: 2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1679-0904
2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)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

1679-0904

Molecular Formula

C17H16ClN3O4 (C17 H16 ClN3 O4)

Compound Name

2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

2-chloro-N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

COc(cc(/C=N/NC(CNC(c(cccc1)c1Cl)=O)=O)cc1)c1O

InChI

InChI=1S/C17H16ClN3O4/c1-25-15-8-11(6-7-14(15)22)9-20-21-16(23)10-19-17(24)12-4-2-3-5-13(12)18/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)

InChI Key

WCRKLVPHFQMDBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01131818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-3.28

Polar Surface Area

84.204

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1679-0904 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 1679-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1679-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1679-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1679-0904
  • 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 1679-0904 available by request