V028-4839 Screening compound: 2-(4-{5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide

V028-4839 Screening compound: 2-(4-{5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide
V028-4839 Screening compound: 2-(4-{5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4839
2-(4-{5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide

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

V028-4839

Molecular Formula

C20H25N7O (C20 H25 N7 O)

Compound Name

2-(4-{5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide

IUPAC name

2-(4-{5-ethyl-[124]triazolo[15-a]pyrimidin-7-yl}piperazin-1-yl)-N-methyl-N-phenylacetamide

SMILES

CCc1nc2ncnn2c(N2CCN(CC(N(C)c3ccccc3)=O)CC2)c1

InChI

InChI=1S/C20H25N7O/c1-3-16-13-18(27-20(23-16)21-15-22-27)26-11-9-25(10-12-26)14-19(28)24(2)17-7-5-4-6-8-17/h4-8,13,15H,3,9-12,14H2,1-2H3

InChI Key

ITSSHWZBXMGHOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956911

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-2.03

Polar Surface Area

53.672

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V028-4839 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V028-4839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4839?
Check Price and Availability of V028-4839, 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 V028-4839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4839
  • 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 V028-4839 available by request