3902-0457 Screening compound: N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide

3902-0457 Screening compound: N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide
3902-0457 Screening compound: N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3902-0457
N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide

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

3902-0457

Molecular Formula

C13H18N2OS (C13 H18 N2 OS)

Compound Name

N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide

IUPAC name

N'-[(2E)-butan-2-ylidene]-2-(phenylsulfanyl)propanehydrazide

SMILES

CC/C(/C)=N/NC(C(C)Sc1ccccc1)=O

InChI

InChI=1S/C13H18N2OS/c1-4-10(2)14-15-13(16)11(3)17-12-8-6-5-7-9-12/h5-9,11H,4H2,1-3H3,(H,15,16)/t11-/m0/s1

InChI Key

NKZXUUSDVCHXJX-NSHDSACASA-N

MDL Number (MFCD)

MFCD01022921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.15

Polar Surface Area

35.194

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with 3902-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3902-0457?
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What is the minimum amount of 3902-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3902-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3902-0457
  • 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 3902-0457 available by request