3564-4107 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide

3564-4107 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide
3564-4107 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3564-4107
N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide

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

3564-4107

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-2-nitrobenzamide

SMILES

[O-][N+](c(cccc1)c1C(Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C19H21N3O5S/c23-19(17-7-3-4-8-18(17)22(24)25)20-15-9-11-16(12-10-15)28(26,27)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-14H2,(H,20,23)

InChI Key

RRJHKKICOQUMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01596576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

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

3.303

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-4.12

Polar Surface Area

88.452

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3564-4107 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 3564-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3564-4107?
Check Price and Availability of 3564-4107, 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 3564-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3564-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3564-4107
  • 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 3564-4107 available by request