V027-8036 Screening compound: [5-(2-chlorophenyl)-3-isoxazolyl]{2-[(4-methylpiperazino)carbonyl]piperidino}methanone

V027-8036 Screening compound: [5-(2-chlorophenyl)-3-isoxazolyl]{2-[(4-methylpiperazino)carbonyl]piperidino}methanone
V027-8036 Screening compound: [5-(2-chlorophenyl)-3-isoxazolyl]{2-[(4-methylpiperazino)carbonyl]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8036
[5-(2-chlorophenyl)-3-isoxazolyl]{2-[(4-methylpiperazino)carbonyl]piperidino}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

V027-8036

Molecular Formula

C21H25ClN4O3 (C21 H25 ClN4 O3)

Compound Name

[5-(2-chlorophenyl)-3-isoxazolyl]{2-[(4-methylpiperazino)carbonyl]piperidino}methanone

IUPAC name

1-{1-[5-(2-chlorophenyl)-12-oxazole-3-carbonyl]piperidine-2-carbonyl}-4-methylpiperazine

SMILES

CN(CC1)CCN1C(C(CCCC1)N1C(c1noc(-c(cccc2)c2Cl)c1)=O)=O

InChI

InChI=1S/C21H25ClN4O3/c1-24-10-12-25(13-11-24)21(28)18-8-4-5-9-26(18)20(27)17-14-19(29-23-17)15-6-2-3-7-16(15)22/h2-3,6-7,14,18H,4-5,8-13H2,1H3/t18-/m0/s1

InChI Key

JBAJLYDLQRPONO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19812883

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-3.34

Polar Surface Area

58.241

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

V027-8036 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-8036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8036?
Check Price and Availability of V027-8036, 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 V027-8036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8036
  • 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 V027-8036 available by request