8012-2114 Screening compound: 1-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

8012-2114 Screening compound: 1-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
8012-2114 Screening compound: 1-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2114
1-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

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

8012-2114

Molecular Formula

C16H18N4O5 (C16 H18 N4 O5)

Compound Name

1-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

IUPAC name

1-[1-(2-nitrophenyl)-25-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CC(N1c(cccc2)c2[N+]([O-])=O)=O)C1=O)=O

InChI

InChI=1S/C16H18N4O5/c17-15(22)10-5-7-18(8-6-10)13-9-14(21)19(16(13)23)11-3-1-2-4-12(11)20(24)25/h1-4,10,13H,5-9H2,(H2,17,22)/t13-/m1/s1

InChI Key

PIPKHAGNNZMNQJ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02318951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.512

Distribution Coefficient, logD

-0.514

Water Solubility, LogSw

-1.42

Polar Surface Area

98.826

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

8012-2114 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-2114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2114?
Check Price and Availability of 8012-2114, 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 8012-2114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2114
  • 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 8012-2114 available by request