C521-2086 Screening compound: 1-{5-[(2,6-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane

C521-2086 Screening compound: 1-{5-[(2,6-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane
C521-2086 Screening compound: 1-{5-[(2,6-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-2086
1-{5-[(2,6-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane

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

C521-2086

Molecular Formula

C18H19Cl2NO4S (C18 H19 Cl2 NO4 S)

Compound Name

1-{5-[(2,6-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane

IUPAC name

1-{5-[(26-dichlorobenzenesulfonyl)methyl]furan-2-carbonyl}azepane

SMILES

O=C(c1ccc(CS(c(c(Cl)ccc2)c2Cl)(=O)=O)o1)N1CCCCCC1

InChI

InChI=1S/C18H19Cl2NO4S/c19-14-6-5-7-15(20)17(14)26(23,24)12-13-8-9-16(25-13)18(22)21-10-3-1-2-4-11-21/h5-9H,1-4,10-12H2

InChI Key

GYILHVIKFTVUOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.21

Polar Surface Area

53.824

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C521-2086 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C521-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-2086?
Check Price and Availability of C521-2086, 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 C521-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-2086
  • 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 C521-2086 available by request