J007-0744 Screening compound: N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide

J007-0744 Screening compound: N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide
J007-0744 Screening compound: N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0744
N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide

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

J007-0744

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide

IUPAC name

N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide

SMILES

COc(cc(cc1)[N+]([O-])=O)c1NC(N(CCCCC1)C1c1cccs1)=O

InChI

InChI=1S/C18H21N3O4S/c1-25-16-12-13(21(23)24)8-9-14(16)19-18(22)20-10-4-2-3-6-15(20)17-7-5-11-26-17/h5,7-9,11-12,15H,2-4,6,10H2,1H3,(H,19,22)/t15-/m0/s1

InChI Key

UOBNVOYGWGKOEJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15078110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.26

Polar Surface Area

66.793

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

J007-0744 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J007-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0744?
Check Price and Availability of J007-0744, 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 J007-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0744
  • 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 J007-0744 available by request