8006-3939 Screening compound: N,N-bis(3,4,5-trimethoxybenzyl)-1,5-naphthalenedisulfonamide

8006-3939 Screening compound: N,N-bis(3,4,5-trimethoxybenzyl)-1,5-naphthalenedisulfonamide
8006-3939 Screening compound: N,N-bis(3,4,5-trimethoxybenzyl)-1,5-naphthalenedisulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3939
N,N-bis(3,4,5-trimethoxybenzyl)-1,5-naphthalenedisulfonamide

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

8006-3939

Molecular Formula

C30H34N2O10S2 (C30 H34 N2 O10 S2)

Compound Name

N,N-bis(3,4,5-trimethoxybenzyl)-1,5-naphthalenedisulfonamide

IUPAC name

N1N5-bis[(345-trimethoxyphenyl)methyl]naphthalene-15-disulfonamide

SMILES

COc1cc(CNS(c2c(cccc3S(NCc(cc4OC)cc(OC)c4OC)(=O)=O)c3ccc2)(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C30H34N2O10S2/c1-37-23-13-19(14-24(38-2)29(23)41-5)17-31-43(33,34)27-11-7-10-22-21(27)9-8-12-28(22)44(35,36)32-18-20-15-25(39-3)30(42-6)26(16-20)40-4/h7-16,31-32H,17-18H2,1-6H3

InChI Key

XMCUJGVSAKOMEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00716768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.74

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.17

Polar Surface Area

129.439

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8006-3939 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-3939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3939?
Check Price and Availability of 8006-3939, 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 8006-3939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3939
  • 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 8006-3939 available by request