V028-7819 Screening compound: 3-methyl-N~1~-{6-[4-(3-thienylmethyl)piperazino]-3-pyridyl}-2-butenamide

V028-7819 Screening compound: 3-methyl-N~1~-{6-[4-(3-thienylmethyl)piperazino]-3-pyridyl}-2-butenamide
V028-7819 Screening compound: 3-methyl-N~1~-{6-[4-(3-thienylmethyl)piperazino]-3-pyridyl}-2-butenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7819
3-methyl-N~1~-{6-[4-(3-thienylmethyl)piperazino]-3-pyridyl}-2-butenamide

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

V028-7819

Molecular Formula

C19H24N4OS (C19 H24 N4 OS)

Compound Name

3-methyl-N~1~-{6-[4-(3-thienylmethyl)piperazino]-3-pyridyl}-2-butenamide

IUPAC name

3-methyl-N-(6-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}pyridin-3-yl)but-2-enamide

SMILES

CC(C)=CC(Nc(cc1)cnc1N1CCN(Cc2cscc2)CC1)=O

InChI

InChI=1S/C19H24N4OS/c1-15(2)11-19(24)21-17-3-4-18(20-12-17)23-8-6-22(7-9-23)13-16-5-10-25-14-16/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,21,24)

InChI Key

ANKKMBPLGHRGCN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.030

Water Solubility, LogSw

-3.49

Polar Surface Area

40.000

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

V028-7819 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 V028-7819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7819?
Check Price and Availability of V028-7819, 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 V028-7819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7819
  • 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 V028-7819 available by request