F687-0913 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid

F687-0913 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid
F687-0913 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0913
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic 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

F687-0913

Molecular Formula

C27H34N4O5 (C27 H34 N4 O5)

Compound Name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid

IUPAC name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(2-methoxybenzamido)benzoic acid

SMILES

COc(cccc1)c1C(Nc(ccc(N1CCN(CC(N2CCCCCC2)=O)CC1)c1)c1C(O)=O)=O

InChI

InChI=1S/C27H34N4O5/c1-36-24-9-5-4-8-21(24)26(33)28-23-11-10-20(18-22(23)27(34)35)30-16-14-29(15-17-30)19-25(32)31-12-6-2-3-7-13-31/h4-5,8-11,18H,2-3,6-7,12-17,19H2,1H3,(H,28,33)(H,34,35)

InChI Key

BNFJQFUIHWTAFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

-1.393

Water Solubility, LogSw

-3.30

Polar Surface Area

82.387

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F687-0913 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F687-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0913?
Check Price and Availability of F687-0913, 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 F687-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0913
  • 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 F687-0913 available by request