V013-4321 Screening compound: 1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-nitrobenzoyl)piperazine

V013-4321 Screening compound: 1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-nitrobenzoyl)piperazine
V013-4321 Screening compound: 1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-nitrobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4321
1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-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

V013-4321

Molecular Formula

C21H21N5O4 (C21 H21 N5 O4)

Compound Name

1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(4-nitrobenzoyl)piperazine

IUPAC name

1-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}-4-(4-nitrobenzoyl)piperazine

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCN2C(c(cc2)ccc2[N+]([O-])=O)=O)no1

InChI

InChI=1S/C21H21N5O4/c1-15-2-4-16(5-3-15)20-22-19(23-30-20)14-24-10-12-25(13-11-24)21(27)17-6-8-18(9-7-17)26(28)29/h2-9H,10-14H2,1H3

InChI Key

WAMHVEUIXWCUHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286436

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.14

Polar Surface Area

86.477

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V013-4321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4321?
Check Price and Availability of V013-4321, 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 V013-4321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4321
  • 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 V013-4321 available by request