V026-5781 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide

V026-5781 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide
V026-5781 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5781
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide

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

V026-5781

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-2-methyl-N-(prop-2-en-1-yl)propanamide

SMILES

CC(C)C(N(CC=C)CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C23H28N2O4S/c1-5-9-24(23(27)16(2)3)14-22(26)25(13-21-17(4)8-10-30-21)12-18-6-7-19-20(11-18)29-15-28-19/h5-8,10-11,16H,1,9,12-15H2,2-4H3

InChI Key

GQVXXYOAJZUIHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-3.93

Polar Surface Area

50.517

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V026-5781 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V026-5781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5781?
Check Price and Availability of V026-5781, 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 V026-5781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5781
  • 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 V026-5781 available by request