1601-0143 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]-4-nitrobenzohydrazide

1601-0143 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]-4-nitrobenzohydrazide
1601-0143 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1601-0143
2-chloro-N'-[(1E)-3-methylbutylidene]-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

1601-0143

Molecular Formula

C12H14ClN3O3 (C12 H14 ClN3 O3)

Compound Name

2-chloro-N'-[(1E)-3-methylbutylidene]-4-nitrobenzohydrazide

IUPAC name

2-chloro-N'-[(1E)-3-methylbutylidene]-4-nitrobenzohydrazide

SMILES

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

InChI

InChI=1S/C12H14ClN3O3/c1-8(2)5-6-14-15-12(17)10-4-3-9(16(18)19)7-11(10)13/h3-4,6-8H,5H2,1-2H3,(H,15,17)

InChI Key

SCFATLIEWQWZHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01057446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.75

Polar Surface Area

69.839

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1601-0143 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 1601-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1601-0143?
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What is the minimum amount of 1601-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1601-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1601-0143
  • 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 1601-0143 available by request