3019-0130 Screening compound: 3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide

3019-0130 Screening compound: 3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide
3019-0130 Screening compound: 3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0130
3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide

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

3019-0130

Molecular Formula

C19H20BrClN2O3S (C19 H20 BrClN2 O3 S)

Compound Name

3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide

IUPAC name

3-(azepane-1-sulfonyl)-N-(4-bromophenyl)-4-chlorobenzamide

SMILES

O=C(c(cc1)cc(S(N2CCCCCC2)(=O)=O)c1Cl)Nc(cc1)ccc1Br

InChI

InChI=1S/C19H20BrClN2O3S/c20-15-6-8-16(9-7-15)22-19(24)14-5-10-17(21)18(13-14)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)

InChI Key

GBGYUZFKJAEERM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-5.02

Polar Surface Area

55.372

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3019-0130 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3019-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0130?
Check Price and Availability of 3019-0130, 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 3019-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0130
  • 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 3019-0130 available by request