8016-9621 Screening compound: N~1~,N~1~-bis(3,4-dimethoxybenzyl)-3,4-dimethoxybenzamide

8016-9621 Screening compound: N~1~,N~1~-bis(3,4-dimethoxybenzyl)-3,4-dimethoxybenzamide
8016-9621 Screening compound: N~1~,N~1~-bis(3,4-dimethoxybenzyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9621
N~1~,N~1~-bis(3,4-dimethoxybenzyl)-3,4-dimethoxybenzamide

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

8016-9621

Molecular Formula

C27H31NO7 (C27 H31 NO7)

Compound Name

N~1~,N~1~-bis(3,4-dimethoxybenzyl)-3,4-dimethoxybenzamide

IUPAC name

NN-bis[(34-dimethoxyphenyl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(CN(Cc(cc1)cc(OC)c1OC)C(c(cc1)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C27H31NO7/c1-30-21-10-7-18(13-24(21)33-4)16-28(17-19-8-11-22(31-2)25(14-19)34-5)27(29)20-9-12-23(32-3)26(15-20)35-6/h7-15H,16-17H2,1-6H3

InChI Key

MYXCXUHNPQJGEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-2.99

Polar Surface Area

61.960

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

8016-9621 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 8016-9621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9621?
Check Price and Availability of 8016-9621, 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 8016-9621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9621
  • 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 8016-9621 available by request