V002-3172 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]acetamide

V002-3172 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]acetamide
V002-3172 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3172
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-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

V002-3172

Molecular Formula

C31H36ClN3O6 (C31 H36 ClN3 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[butyl(cyclohexylcarbamoyl)amino]-N-[(6-chloro-4-oxo-4H-chromen-3-yl)methyl]acetamide

SMILES

CCCCN(CC(N(Cc(cc1)cc2c1OCO2)CC1=COc(ccc(Cl)c2)c2C1=O)=O)C(NC1CCCCC1)=O

InChI

InChI=1S/C31H36ClN3O6/c1-2-3-13-34(31(38)33-24-7-5-4-6-8-24)18-29(36)35(16-21-9-11-27-28(14-21)41-20-40-27)17-22-19-39-26-12-10-23(32)15-25(26)30(22)37/h9-12,14-15,19,24H,2-8,13,16-18,20H2,1H3,(H,33,38)

InChI Key

YZRTYSCLDSNMMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19770303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.78

Polar Surface Area

79.988

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with V002-3172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3172?
Check Price and Availability of V002-3172, 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 V002-3172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3172
  • 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 V002-3172 available by request