V024-4549 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butylpropanamide

V024-4549 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butylpropanamide
V024-4549 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-4549
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-butylpropanamide

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

V024-4549

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-4-6-10-24(22(26)5-2)15-23(27)25(14-21-17(3)9-11-30-21)13-18-7-8-19-20(12-18)29-16-28-19/h7-9,11-12H,4-6,10,13-16H2,1-3H3

InChI Key

FPKGUSVFVRDFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.09

Polar Surface Area

49.989

Acid Dissociation Constant (pKa)

23.43

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V024-4549 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 V024-4549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-4549?
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What is the minimum amount of V024-4549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-4549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-4549
  • 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 V024-4549 available by request