V012-2609 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V012-2609 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V012-2609 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2609
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]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

V012-2609

Molecular Formula

C28H34N2O6S2 (C28 H34 N2 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[N-(3-ethoxypropyl)4-methylbenzenesulfonamido]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CCOCCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C28H34N2O6S2/c1-4-34-14-5-13-30(38(32,33)24-9-6-21(2)7-10-24)19-28(31)29(18-27-22(3)12-15-37-27)17-23-8-11-25-26(16-23)36-20-35-25/h6-12,15-16H,4-5,13-14,17-20H2,1-3H3

InChI Key

WWJMCQLMUJPUDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.63

Polar Surface Area

73.387

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V012-2609 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V012-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2609?
Check Price and Availability of V012-2609, 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 V012-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2609
  • 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 V012-2609 available by request