V028-8026 Screening compound: N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(E)-3-phenyl-2-propenoyl]piperazino}acetamide

V028-8026 Screening compound: N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(E)-3-phenyl-2-propenoyl]piperazino}acetamide
V028-8026 Screening compound: N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(E)-3-phenyl-2-propenoyl]piperazino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8026
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(E)-3-phenyl-2-propenoyl]piperazino}acetamide

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

V028-8026

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(E)-3-phenyl-2-propenoyl]piperazino}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-cyclopentyl-2-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}acetamide

SMILES

O=C(C(C1CCCC1)N(CC1)CCN1C(/C=C/c1ccccc1)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H31N3O4/c31-25(13-10-20-6-2-1-3-7-20)29-14-16-30(17-15-29)26(21-8-4-5-9-21)27(32)28-22-11-12-23-24(18-22)34-19-33-23/h1-3,6-7,10-13,18,21,26H,4-5,8-9,14-17,19H2,(H,28,32)/t26-/m0/s1

InChI Key

JRCYFTYXNBEQTB-SANMLTNESA-N

MDL Number (MFCD)

MFCD19883103

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.15

Polar Surface Area

59.957

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

V028-8026 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8026?
Check Price and Availability of V028-8026, 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 V028-8026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8026
  • 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 V028-8026 available by request