3381-0497 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)piperazine

3381-0497 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)piperazine
3381-0497 Screening compound: 1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0497
1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)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

3381-0497

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)piperazine

IUPAC name

1-[(naphthalen-2-yl)methyl]-4-(4-nitrobenzoyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1C(N1CCN(Cc2cc3ccccc3cc2)CC1)=O)=O

InChI

InChI=1S/C22H21N3O3/c26-22(19-7-9-21(10-8-19)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-20(18)15-17/h1-10,15H,11-14,16H2

InChI Key

COUUXKSIARJETR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040704

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-4.03

Polar Surface Area

53.537

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3381-0497 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3381-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0497?
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What is the minimum amount of 3381-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0497
  • 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 3381-0497 available by request