V029-6962 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(N-butylacetamido)-N-[(3-methylthiophen-2-yl)methyl]acetamide

V029-6962 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(N-butylacetamido)-N-[(3-methylthiophen-2-yl)methyl]acetamide
V029-6962 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(N-butylacetamido)-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6962
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(N-butylacetamido)-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

V029-6962

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-5-9-23(17(3)25)14-22(26)24(13-21-16(2)8-10-29-21)12-18-6-7-19-20(11-18)28-15-27-19/h6-8,10-11H,4-5,9,12-15H2,1-3H3

InChI Key

YQLZTWPMMYDXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

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

3.733

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-3.70

Polar Surface Area

50.985

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

V029-6962 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V029-6962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6962?
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What is the minimum amount of V029-6962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6962
  • 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 V029-6962 available by request