J007-0602 Screening compound: ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate

J007-0602 Screening compound: ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate
J007-0602 Screening compound: ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J007-0602
ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate

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

J007-0602

Molecular Formula

C22H28N2O3S (C22 H28 N2 O3 S)

Compound Name

ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(CCCCC1)C1c1ccc(C)s1)=O)=O

InChI

InChI=1S/C22H28N2O3S/c1-3-27-21(25)15-17-9-11-18(12-10-17)23-22(26)24-14-6-4-5-7-19(24)20-13-8-16(2)28-20/h8-13,19H,3-7,14-15H2,1-2H3,(H,23,26)/t19-/m0/s1

InChI Key

UQALRSVZRQYBHR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15078101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.33

Polar Surface Area

46.638

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

J007-0602 in Drug Discovery

Included in Screening Libraries

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 J007-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J007-0602?
Check Price and Availability of J007-0602, 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 J007-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J007-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J007-0602
  • 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 J007-0602 available by request