4275-0593 Screening compound: N,N'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide

4275-0593 Screening compound: N,N'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide
4275-0593 Screening compound: N,N'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4275-0593
N,N'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide

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

4275-0593

Molecular Formula

C28H38N4O6S2 (C28 H38 N4 O6 S2)

Compound Name

N,N'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide

IUPAC name

NN'-bis[4-(azepane-1-sulfonyl)phenyl]butanediamide

SMILES

O=C(CCC(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C28H38N4O6S2/c33-27(29-23-9-13-25(14-10-23)39(35,36)31-19-5-1-2-6-20-31)17-18-28(34)30-24-11-15-26(16-12-24)40(37,38)32-21-7-3-4-8-22-32/h9-16H,1-8,17-22H2,(H,29,33)(H,30,34)

InChI Key

WGJAMVNNYNKFRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02604017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.77

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.82

Polar Surface Area

110.350

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4275-0593 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4275-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4275-0593?
Check Price and Availability of 4275-0593, 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 4275-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4275-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4275-0593
  • 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 4275-0593 available by request