D207-0120 Screening compound: N1-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(3,4-dimethoxyphenyl)methyl]benzene-1,4-disulfonamide

D207-0120 Screening compound: N1-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(3,4-dimethoxyphenyl)methyl]benzene-1,4-disulfonamide
D207-0120 Screening compound: N1-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(3,4-dimethoxyphenyl)methyl]benzene-1,4-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D207-0120
N1-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(3,4-dimethoxyphenyl)methyl]benzene-1,4-disulfonamide

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

D207-0120

Molecular Formula

C29H34N2O8S2 (C29 H34 N2 O8 S2)

Compound Name

N1-[(2H-1,3-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(3,4-dimethoxyphenyl)methyl]benzene-1,4-disulfonamide

IUPAC name

N1-[(2H-13-benzodioxol-5-yl)methyl]-N4-cyclohexyl-N1-[(34-dimethoxyphenyl)methyl]benzene-14-disulfonamide

SMILES

COc(ccc(CN(Cc(cc1)cc2c1OCO2)S(c(cc1)ccc1S(NC1CCCCC1)(=O)=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C29H34N2O8S2/c1-36-26-14-8-21(16-28(26)37-2)18-31(19-22-9-15-27-29(17-22)39-20-38-27)41(34,35)25-12-10-24(11-13-25)40(32,33)30-23-6-4-3-5-7-23/h8-17,23,30H,3-7,18-20H2,1-2H3

InChI Key

AOGRQVYFHDCUPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03737017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.73

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.04

Polar Surface Area

105.416

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

D207-0120 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D207-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D207-0120?
Check Price and Availability of D207-0120, 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 D207-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D207-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D207-0120
  • 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 D207-0120 available by request