8010-9595 Screening compound: 6-(3,4-dichlorophenyl)-5-nitrotetrahydro-2(1H)-pyridinone

8010-9595 Screening compound: 6-(3,4-dichlorophenyl)-5-nitrotetrahydro-2(1H)-pyridinone
8010-9595 Screening compound: 6-(3,4-dichlorophenyl)-5-nitrotetrahydro-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9595
6-(3,4-dichlorophenyl)-5-nitrotetrahydro-2(1H)-pyridinone

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

8010-9595

Molecular Formula

C11H10Cl2N2O3 (C11 H10 Cl2 N2 O3)

Compound Name

6-(3,4-dichlorophenyl)-5-nitrotetrahydro-2(1H)-pyridinone

IUPAC name

6-(34-dichlorophenyl)-5-nitropiperidin-2-one

SMILES

[O-][N+](C(CC1)C(c(cc2)cc(Cl)c2Cl)NC1=O)=O

InChI

InChI=1S/C11H10Cl2N2O3/c12-7-2-1-6(5-8(7)13)11-9(15(17)18)3-4-10(16)14-11/h1-2,5,9,11H,3-4H2,(H,14,16)

InChI Key

GEPOOLDNNSWCLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-3.40

Polar Surface Area

58.259

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

8010-9595 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-9595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9595?
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What is the minimum amount of 8010-9595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9595
  • 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 8010-9595 available by request