8018-3642 Screening compound: 1,4-bis(9H-fluorene-2-sulfonyl)-1,4-diazepane

8018-3642 Screening compound: 1,4-bis(9H-fluorene-2-sulfonyl)-1,4-diazepane
8018-3642 Screening compound: 1,4-bis(9H-fluorene-2-sulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3642
1,4-bis(9H-fluorene-2-sulfonyl)-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

8018-3642

Molecular Formula

C31H28N2O4S2 (C31 H28 N2 O4 S2)

Compound Name

1,4-bis(9H-fluorene-2-sulfonyl)-1,4-diazepane

IUPAC name

14-bis(9H-fluorene-2-sulfonyl)-14-diazepane

SMILES

O=S(c(cc1)cc(C2)c1-c1c2cccc1)(N(CCC1)CCN1S(c(cc1)cc(C2)c1-c1c2cccc1)(=O)=O)=O

InChI

InChI=1S/C31H28N2O4S2/c34-38(35,26-10-12-30-24(20-26)18-22-6-1-3-8-28(22)30)32-14-5-15-33(17-16-32)39(36,37)27-11-13-31-25(21-27)19-23-7-2-4-9-29(23)31/h1-4,6-13,20-21H,5,14-19H2

InChI Key

NOQOHAQLJDEQPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.715

Distribution Coefficient, logD

6.715

Water Solubility, LogSw

-6.31

Polar Surface Area

63.829

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

-7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

8018-3642 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3642?
Check Price and Availability of 8018-3642, 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 8018-3642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3642
  • 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 8018-3642 available by request