V001-0951 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-dichlorobenzamide

V001-0951 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-dichlorobenzamide
V001-0951 Screening compound: N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0951
N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-dichlorobenzamide

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

V001-0951

Molecular Formula

C30H24Cl2N2O4 (C30 H24 Cl2 N2 O4)

Compound Name

N-[3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-2,4-dichlorobenzamide

IUPAC name

N-[3-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-benzyl-24-dichlorobenzamide

SMILES

O=C(Cc1cccc(N(Cc2ccccc2)C(c(ccc(Cl)c2)c2Cl)=O)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C30H24Cl2N2O4/c31-23-10-11-25(26(32)16-23)30(36)34(18-20-5-2-1-3-6-20)24-8-4-7-21(13-24)15-29(35)33-17-22-9-12-27-28(14-22)38-19-37-27/h1-14,16H,15,17-19H2,(H,33,35)

InChI Key

PJKPDLKRQIWNHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-6.29

Polar Surface Area

56.905

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with V001-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0951?
Check Price and Availability of V001-0951, 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 V001-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0951
  • 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 V001-0951 available by request