4061-0045 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-ol

4061-0045 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-ol
4061-0045 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0045
2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-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

4061-0045

Molecular Formula

C12H15N5O4 (C12 H15 N5 O4)

Compound Name

2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(7-nitro-213-benzoxadiazol-4-yl)piperazin-1-yl]ethan-1-ol

SMILES

[O-][N+](c(c1nonc11)ccc1N1CCN(CCO)CC1)=O

InChI

InChI=1S/C12H15N5O4/c18-8-7-15-3-5-16(6-4-15)9-1-2-10(17(19)20)12-11(9)13-21-14-12/h1-2,18H,3-8H2

InChI Key

WDVCZSSWRMVHAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01702642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.114

Water Solubility, LogSw

-1.67

Polar Surface Area

93.777

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4061-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4061-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0045?
Check Price and Availability of 4061-0045, 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 4061-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0045
  • 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 4061-0045 available by request