4694-0382 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

4694-0382 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
4694-0382 Screening compound: 2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4694-0382
2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

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

4694-0382

Molecular Formula

C15H20BrN3OS (C15 H20 BrN3 OS)

Compound Name

2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

IUPAC name

2-{[(2-bromophenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

SMILES

CN(CC1)CCC1=NNC(CSCc(cccc1)c1Br)=O

InChI

InChI=1S/C15H20BrN3OS/c1-19-8-6-13(7-9-19)17-18-15(20)11-21-10-12-4-2-3-5-14(12)16/h2-5H,6-11H2,1H3,(H,18,20)

InChI Key

BXTGREVKUPLFJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.58

Polar Surface Area

39.046

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 4694-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4694-0382?
Check Price and Availability of 4694-0382, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4694-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4694-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4694-0382
  • 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 4694-0382 available by request