8016-5908 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]acetamide

8016-5908 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]acetamide
8016-5908 Screening compound: 2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5908
2-[4-(7-nitro-2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]acetamide

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

8016-5908

Molecular Formula

C12H14N6O4 (C12 H14 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

NC(CN(CC1)CCN1c(c1nonc11)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C12H14N6O4/c13-10(19)7-16-3-5-17(6-4-16)8-1-2-9(18(20)21)12-11(8)14-22-15-12/h1-2H,3-7H2,(H2,13,19)

InChI Key

CGDLZTOFJDYXNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.350

Distribution Coefficient, logD

0.347

Water Solubility, LogSw

-1.69

Polar Surface Area

110.531

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8016-5908 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-5908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5908?
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What is the minimum amount of 8016-5908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5908
  • 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 8016-5908 available by request