V024-4629 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide

V024-4629 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide
V024-4629 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-4629
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide

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

V024-4629

Molecular Formula

C29H34N2O4S (C29 H34 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butyl-3-phenylpropanamide

SMILES

CCCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(CCc1ccccc1)=O

InChI

InChI=1S/C29H34N2O4S/c1-3-4-15-30(28(32)13-11-23-8-6-5-7-9-23)20-29(33)31(19-27-22(2)14-16-36-27)18-24-10-12-25-26(17-24)35-21-34-25/h5-10,12,14,16-17H,3-4,11,13,15,18-21H2,1-2H3

InChI Key

HZOQBPZSKCPXKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.665

Distribution Coefficient, logD

5.665

Water Solubility, LogSw

-5.32

Polar Surface Area

49.718

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V024-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-4629?
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What is the minimum amount of V024-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-4629
  • 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 V024-4629 available by request