8013-7370 Screening compound: (2,4-dimethylphenyl)(5-nitro-2-piperidinophenyl)methanone

8013-7370 Screening compound: (2,4-dimethylphenyl)(5-nitro-2-piperidinophenyl)methanone
8013-7370 Screening compound: (2,4-dimethylphenyl)(5-nitro-2-piperidinophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7370
(2,4-dimethylphenyl)(5-nitro-2-piperidinophenyl)methanone

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

8013-7370

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

(2,4-dimethylphenyl)(5-nitro-2-piperidinophenyl)methanone

IUPAC name

1-[2-(24-dimethylbenzoyl)-4-nitrophenyl]piperidine

SMILES

Cc(cc1)cc(C)c1C(c(cc(cc1)[N+]([O-])=O)c1N1CCCCC1)=O

InChI

InChI=1S/C20H22N2O3/c1-14-6-8-17(15(2)12-14)20(23)18-13-16(22(24)25)7-9-19(18)21-10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3

InChI Key

AFALCLVYXLQWLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02919403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.22

Polar Surface Area

50.239

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8013-7370 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-7370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7370?
Check Price and Availability of 8013-7370, 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 8013-7370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7370
  • 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 8013-7370 available by request