2023-0169 Screening compound: 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol

2023-0169 Screening compound: 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol
2023-0169 Screening compound: 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0169
1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol

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

2023-0169

Molecular Formula

C17H26ClN3O4 (C17 H26 ClN3 O4)

Compound Name

1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol

SMILES

CCCCOCC(CN(CC1)CCN1c(ccc(Cl)c1)c1[N+]([O-])=O)O

InChI

InChI=1S/C17H26ClN3O4/c1-2-3-10-25-13-15(22)12-19-6-8-20(9-7-19)16-5-4-14(18)11-17(16)21(23)24/h4-5,11,15,22H,2-3,6-10,12-13H2,1H3/t15-/m0/s1

InChI Key

FDXAGIZWXPMQSZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00640792

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

371.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.12

Polar Surface Area

65.255

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 2023-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0169?
Check Price and Availability of 2023-0169, 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 2023-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0169
  • 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 2023-0169 available by request