8013-0209 Screening compound: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitrotetrahydro-2(1H)-pyridinone

8013-0209 Screening compound: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitrotetrahydro-2(1H)-pyridinone
8013-0209 Screening compound: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitrotetrahydro-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0209
6-(3-chloro-4-hydroxy-5-methoxyphenyl)-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

8013-0209

Molecular Formula

C12H13ClN2O5 (C12 H13 ClN2 O5)

Compound Name

6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitrotetrahydro-2(1H)-pyridinone

IUPAC name

6-(3-chloro-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one

SMILES

COc1cc(C(C(CC2)[N+]([O-])=O)NC2=O)cc(Cl)c1O

InChI

InChI=1S/C12H13ClN2O5/c1-20-9-5-6(4-7(13)12(9)17)11-8(15(18)19)2-3-10(16)14-11/h4-5,8,11,17H,2-3H2,1H3,(H,14,16)

InChI Key

RTXKQSOCNPKWMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-2.61

Polar Surface Area

81.369

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

References: we are preparing a list of scientific research reports with 8013-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0209?
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What is the minimum amount of 8013-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0209
  • 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 8013-0209 available by request