1897-1315 Screening compound: 2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide

1897-1315 Screening compound: 2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide
1897-1315 Screening compound: 2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1897-1315
2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide

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

1897-1315

Molecular Formula

C13H9Cl2N3O3S (C13 H9 Cl2 N3 O3 S)

Compound Name

2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide

IUPAC name

2-chloro-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]-4-nitrobenzohydrazide

SMILES

C/C(/c(s1)ccc1Cl)=N\NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C13H9Cl2N3O3S/c1-7(11-4-5-12(15)22-11)16-17-13(19)9-3-2-8(18(20)21)6-10(9)14/h2-6H,1H3,(H,17,19)

InChI Key

XCDMEPKFHNMXMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01344225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.72

Polar Surface Area

69.242

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1897-1315 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 1897-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1897-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1897-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1897-1315
  • 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 1897-1315 available by request