1601-0162 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]benzohydrazide

1601-0162 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]benzohydrazide
1601-0162 Screening compound: 2-chloro-N'-[(1E)-3-methylbutylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1601-0162
2-chloro-N'-[(1E)-3-methylbutylidene]benzohydrazide

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

1601-0162

Molecular Formula

C12H15ClN2O (C12 H15 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C/C=N/NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C12H15ClN2O/c1-9(2)7-8-14-15-12(16)10-5-3-4-6-11(10)13/h3-6,8-9H,7H2,1-2H3,(H,15,16)

InChI Key

UWONEYWVWVZMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01057460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.61

Polar Surface Area

36.457

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1601-0162 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1601-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1601-0162?
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What is the minimum amount of 1601-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1601-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1601-0162
  • 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 1601-0162 available by request