8018-3807 Screening compound: 1,4-bis(2-fluoro-4,5-dimethoxybenzenesulfonyl)-1,4-diazepane

8018-3807 Screening compound: 1,4-bis(2-fluoro-4,5-dimethoxybenzenesulfonyl)-1,4-diazepane
8018-3807 Screening compound: 1,4-bis(2-fluoro-4,5-dimethoxybenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3807
1,4-bis(2-fluoro-4,5-dimethoxybenzenesulfonyl)-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

8018-3807

Molecular Formula

C21H26F2N2O8S2 (C21 H26 F2 N2 O8 S2)

Compound Name

1,4-bis(2-fluoro-4,5-dimethoxybenzenesulfonyl)-1,4-diazepane

IUPAC name

14-bis(2-fluoro-45-dimethoxybenzenesulfonyl)-14-diazepane

SMILES

COc(c(OC)c1)cc(F)c1S(N(CCC1)CCN1S(c(cc(c(OC)c1)OC)c1F)(=O)=O)(=O)=O

InChI

InChI=1S/C21H26F2N2O8S2/c1-30-16-10-14(22)20(12-18(16)32-3)34(26,27)24-6-5-7-25(9-8-24)35(28,29)21-13-19(33-4)17(31-2)11-15(21)23/h10-13H,5-9H2,1-4H3

InChI Key

TWDQAGMHXUCVIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.13

Polar Surface Area

94.321

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8018-3807 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3807?
Check Price and Availability of 8018-3807, 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 8018-3807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3807
  • 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 8018-3807 available by request