S400-0052 Screening compound: 3-BUTYL-6,6-DICHLORO-3-AZABICYCLO[3.1.0]HEXANE

S400-0052 Screening compound: 3-BUTYL-6,6-DICHLORO-3-AZABICYCLO[3.1.0]HEXANE
S400-0052 Screening compound: 3-BUTYL-6,6-DICHLORO-3-AZABICYCLO[3.1.0]HEXANE alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0052
3-BUTYL-6,6-DICHLORO-3-AZABICYCLO[3.1.0]HEXANE

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

S400-0052

Molecular Formula

C9H15Cl2N (C9 H15 Cl2 N)

Compound Name

3-BUTYL-6,6-DICHLORO-3-AZABICYCLO[3.1.0]HEXANE

IUPAC name

n/a

SMILES

CCCCN(CC12)CC2C1(Cl)Cl

InChI

InChI=1S/C9H15Cl2N/c1-2-3-4-12-5-7-8(6-12)9(7,10)11/h7-8H,2-6H2,1H3

InChI Key

KYUWQWWYPATRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.13

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-3.42

Polar Surface Area

4.705

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with S400-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0052?
Check Price and Availability of S400-0052, 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 S400-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0052
  • 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 S400-0052 available by request