3019-0079 Screening compound: 3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide

3019-0079 Screening compound: 3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide
3019-0079 Screening compound: 3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3019-0079
3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide

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

3019-0079

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide

IUPAC name

3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide

SMILES

Cc(ccc(C(Nc(cc1)ccc1[N+]([O-])=O)=O)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H23N3O5S/c1-15-6-7-16(20(24)21-17-8-10-18(11-9-17)23(25)26)14-19(15)29(27,28)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)

InChI Key

WVLQZTIJJGTYEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-4.04

Polar Surface Area

88.753

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3019-0079 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3019-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3019-0079?
Check Price and Availability of 3019-0079, 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 3019-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3019-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3019-0079
  • 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 3019-0079 available by request