1890-0666 Screening compound: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one

1890-0666 Screening compound: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
1890-0666 Screening compound: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0666
1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one

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

1890-0666

Molecular Formula

C13H20N4O3 (C13 H20 N4 O3)

Compound Name

1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc(n(CC(N1CCCCCC1)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C13H20N4O3/c1-10-13(17(19)20)11(2)16(14-10)9-12(18)15-7-5-3-4-6-8-15/h3-9H2,1-2H3

InChI Key

DFLQPVPZRIXOKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01076873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-1.15

Polar Surface Area

64.023

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

References: we are preparing a list of scientific research reports with 1890-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0666?
Check Price and Availability of 1890-0666, 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 1890-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0666
  • 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 1890-0666 available by request