V017-4136 Screening compound: [4-(2-METHOXYPHENYL)PIPERAZINO][1-(3-METHYLPHENYL)-1H-1,2,4-TRIAZOL-3-YL]METHANONE

V017-4136 Screening compound: [4-(2-METHOXYPHENYL)PIPERAZINO][1-(3-METHYLPHENYL)-1H-1,2,4-TRIAZOL-3-YL]METHANONE
V017-4136 Screening compound: [4-(2-METHOXYPHENYL)PIPERAZINO][1-(3-METHYLPHENYL)-1H-1,2,4-TRIAZOL-3-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4136
[4-(2-METHOXYPHENYL)PIPERAZINO][1-(3-METHYLPHENYL)-1H-1,2,4-TRIAZOL-3-YL]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

V017-4136

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

[4-(2-METHOXYPHENYL)PIPERAZINO][1-(3-METHYLPHENYL)-1H-1,2,4-TRIAZOL-3-YL]METHANONE

IUPAC name

1-(2-methoxyphenyl)-4-[1-(3-methylphenyl)-1H-124-triazole-3-carbonyl]piperazine

SMILES

Cc1cccc(-n2nc(C(N(CC3)CCN3c(cccc3)c3OC)=O)nc2)c1

InChI

InChI=1S/C21H23N5O2/c1-16-6-5-7-17(14-16)26-15-22-20(23-26)21(27)25-12-10-24(11-13-25)18-8-3-4-9-19(18)28-2/h3-9,14-15H,10-13H2,1-2H3

InChI Key

WORGTCYVWUOUHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.35

Polar Surface Area

51.416

Acid Dissociation Constant (pKa)

27.98

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

V017-4136 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 V017-4136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4136?
Check Price and Availability of V017-4136, 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 V017-4136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4136
  • 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 V017-4136 available by request