3721-3841 Screening compound: 1,4-bis(4-ethylbenzenesulfonyl)-1,4-diazepane

3721-3841 Screening compound: 1,4-bis(4-ethylbenzenesulfonyl)-1,4-diazepane
3721-3841 Screening compound: 1,4-bis(4-ethylbenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3721-3841
1,4-bis(4-ethylbenzenesulfonyl)-1,4-diazepane

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

3721-3841

Molecular Formula

C21H28N2O4S2 (C21 H28 N2 O4 S2)

Compound Name

1,4-bis(4-ethylbenzenesulfonyl)-1,4-diazepane

IUPAC name

14-bis(4-ethylbenzenesulfonyl)-14-diazepane

SMILES

CCc(cc1)ccc1S(N(CCC1)CCN1S(c1ccc(CC)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H28N2O4S2/c1-3-18-6-10-20(11-7-18)28(24,25)22-14-5-15-23(17-16-22)29(26,27)21-12-8-19(4-2)9-13-21/h6-13H,3-5,14-17H2,1-2H3

InChI Key

KITPQKSGXAKCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.12

Polar Surface Area

63.799

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3721-3841 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3721-3841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3721-3841?
Check Price and Availability of 3721-3841, 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 3721-3841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3721-3841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3721-3841
  • 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 3721-3841 available by request