4905-1305 Screening compound: 1,4-bis[4-(propan-2-yl)benzenesulfonyl]-1,4-diazepane

4905-1305 Screening compound: 1,4-bis[4-(propan-2-yl)benzenesulfonyl]-1,4-diazepane
4905-1305 Screening compound: 1,4-bis[4-(propan-2-yl)benzenesulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4905-1305
1,4-bis[4-(propan-2-yl)benzenesulfonyl]-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

4905-1305

Molecular Formula

C23H32N2O4S2 (C23 H32 N2 O4 S2)

Compound Name

1,4-bis[4-(propan-2-yl)benzenesulfonyl]-1,4-diazepane

IUPAC name

14-bis[4-(propan-2-yl)benzenesulfonyl]-14-diazepane

SMILES

CC(C)c(cc1)ccc1S(N(CCC1)CCN1S(c1ccc(C(C)C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C23H32N2O4S2/c1-18(2)20-6-10-22(11-7-20)30(26,27)24-14-5-15-25(17-16-24)31(28,29)23-12-8-21(9-13-23)19(3)4/h6-13,18-19H,5,14-17H2,1-4H3

InChI Key

UGWFGOSUYHTBGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03039363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.65

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

5.295

Distribution Coefficient, logD

5.295

Water Solubility, LogSw

-5.26

Polar Surface Area

63.799

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

4905-1305 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4905-1305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4905-1305?
Check Price and Availability of 4905-1305, 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 4905-1305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4905-1305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4905-1305
  • 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 4905-1305 available by request