G889-0284 Screening compound: 2-(azepan-1-yl)-5-acetamidobenzoic acid

G889-0284 Screening compound: 2-(azepan-1-yl)-5-acetamidobenzoic acid
G889-0284 Screening compound: 2-(azepan-1-yl)-5-acetamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-0284
2-(azepan-1-yl)-5-acetamidobenzoic acid

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

G889-0284

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

2-(azepan-1-yl)-5-acetamidobenzoic acid

IUPAC name

2-(azepan-1-yl)-5-acetamidobenzoic acid

SMILES

CC(Nc(cc1)cc(C(O)=O)c1N1CCCCCC1)=O

InChI

InChI=1S/C15H20N2O3/c1-11(18)16-12-6-7-14(13(10-12)15(19)20)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)(H,19,20)

InChI Key

NOAMODLIADKOJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27166188

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-3.23

Polar Surface Area

55.391

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

G889-0284 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with G889-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-0284?
Check Price and Availability of G889-0284, 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 G889-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-0284
  • 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 G889-0284 available by request