8016-3542 Screening compound: N~2~-(2-{4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]benzyl}-4,5-dimethoxyphenyl)-2-thiophenecarboxamide

8016-3542 Screening compound: N~2~-(2-{4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]benzyl}-4,5-dimethoxyphenyl)-2-thiophenecarboxamide
8016-3542 Screening compound: N~2~-(2-{4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]benzyl}-4,5-dimethoxyphenyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3542
N~2~-(2-{4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]benzyl}-4,5-dimethoxyphenyl)-2-thiophenecarboxamide

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

8016-3542

Molecular Formula

C27H26N2O6S2 (C27 H26 N2 O6 S2)

Compound Name

N~2~-(2-{4,5-dimethoxy-2-[(2-thienylcarbonyl)amino]benzyl}-4,5-dimethoxyphenyl)-2-thiophenecarboxamide

IUPAC name

N-(2-{[45-dimethoxy-2-(thiophene-2-amido)phenyl]methyl}-45-dimethoxyphenyl)thiophene-2-carboxamide

SMILES

COc(c(OC)c1)cc(Cc(cc(c(OC)c2)OC)c2NC(c2cccs2)=O)c1NC(c1cccs1)=O

InChI

InChI=1S/C27H26N2O6S2/c1-32-20-12-16(18(14-22(20)34-3)28-26(30)24-7-5-9-36-24)11-17-13-21(33-2)23(35-4)15-19(17)29-27(31)25-8-6-10-37-25/h5-10,12-15H,11H2,1-4H3,(H,28,30)(H,29,31)

InChI Key

CLGJLXRBUDABBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-4.67

Polar Surface Area

77.312

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.52

8016-3542 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-3542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3542?
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What is the minimum amount of 8016-3542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3542
  • 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 8016-3542 available by request