4314-0167 Screening compound: 1,4-bis[(4-chloronaphthalen-1-yl)sulfonyl]-1,4-diazepane

4314-0167 Screening compound: 1,4-bis[(4-chloronaphthalen-1-yl)sulfonyl]-1,4-diazepane
4314-0167 Screening compound: 1,4-bis[(4-chloronaphthalen-1-yl)sulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4314-0167
1,4-bis[(4-chloronaphthalen-1-yl)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

4314-0167

Molecular Formula

C25H22Cl2N2O4S2 (C25 H22 Cl2 N2 O4 S2)

Compound Name

1,4-bis[(4-chloronaphthalen-1-yl)sulfonyl]-1,4-diazepane

IUPAC name

14-bis[(4-chloronaphthalen-1-yl)sulfonyl]-14-diazepane

SMILES

O=S(c(c1ccccc11)ccc1Cl)(N(CCC1)CCN1S(c(c1ccccc11)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C25H22Cl2N2O4S2/c26-22-10-12-24(20-8-3-1-6-18(20)22)34(30,31)28-14-5-15-29(17-16-28)35(32,33)25-13-11-23(27)19-7-2-4-9-21(19)25/h1-4,6-13H,5,14-17H2

InChI Key

QQYSMVNHICQYKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.5

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

6.070

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-6.31

Polar Surface Area

63.256

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4314-0167 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4314-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4314-0167?
Check Price and Availability of 4314-0167, 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 4314-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4314-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4314-0167
  • 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 4314-0167 available by request