0199-0064 Screening compound: 4-(4-bromobutyl)piperazine-1-carbaldehyde

0199-0064 Screening compound: 4-(4-bromobutyl)piperazine-1-carbaldehyde
0199-0064 Screening compound: 4-(4-bromobutyl)piperazine-1-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0064
4-(4-bromobutyl)piperazine-1-carbaldehyde

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

0199-0064

Molecular Formula

C9H17BrN2O (C9 H17 BrN2 O)

Compound Name

4-(4-bromobutyl)piperazine-1-carbaldehyde

IUPAC name

4-(4-bromobutyl)piperazine-1-carbaldehyde

SMILES

O=CN1CCN(CCCCBr)CC1

InChI

InChI=1S/C9H17BrN2O/c10-3-1-2-4-11-5-7-12(9-13)8-6-11/h9H,1-8H2

InChI Key

YFQUMXGCJONGJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.836

Distribution Coefficient, logD

0.629

Water Solubility, LogSw

-0.14

Polar Surface Area

21.690

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.90

0199-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0199-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0064?
Check Price and Availability of 0199-0064, 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 0199-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0064
  • 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 0199-0064 available by request