8010-5954 Screening compound: 1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine

8010-5954 Screening compound: 1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine
8010-5954 Screening compound: 1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5954
1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine

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

8010-5954

Molecular Formula

C21H23FN4O3 (C21 H23 FN4 O3)

Compound Name

1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine

IUPAC name

1-benzoyl-4-[4-fluoro-2-nitro-5-(pyrrolidin-1-yl)phenyl]piperazine

SMILES

[O-][N+](c(c(N(CC1)CCN1C(c1ccccc1)=O)c1)cc(F)c1N1CCCC1)=O

InChI

InChI=1S/C21H23FN4O3/c22-17-14-20(26(28)29)19(15-18(17)23-8-4-5-9-23)24-10-12-25(13-11-24)21(27)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2

InChI Key

DQWLLVXJHUGZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.79

Polar Surface Area

56.444

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8010-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5954?
Check Price and Availability of 8010-5954, 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 8010-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5954
  • 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 8010-5954 available by request