F685-1376 Screening compound: 5-(4-methyl-1,4-diazepan-1-yl)-2-{[2-(4-methylphenyl)acetyl]amino}benzoic acid

F685-1376 Screening compound: 5-(4-methyl-1,4-diazepan-1-yl)-2-{[2-(4-methylphenyl)acetyl]amino}benzoic acid
F685-1376 Screening compound: 5-(4-methyl-1,4-diazepan-1-yl)-2-{[2-(4-methylphenyl)acetyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F685-1376
5-(4-methyl-1,4-diazepan-1-yl)-2-{[2-(4-methylphenyl)acetyl]amino}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

F685-1376

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

5-(4-methyl-1,4-diazepan-1-yl)-2-{[2-(4-methylphenyl)acetyl]amino}benzoic acid

IUPAC name

5-(4-methyl-14-diazepan-1-yl)-2-[2-(4-methylphenyl)acetamido]benzoic acid

SMILES

Cc1ccc(CC(Nc(ccc(N2CCN(C)CCC2)c2)c2C(O)=O)=O)cc1

InChI

InChI=1S/C22H27N3O3/c1-16-4-6-17(7-5-16)14-21(26)23-20-9-8-18(15-19(20)22(27)28)25-11-3-10-24(2)12-13-25/h4-9,15H,3,10-14H2,1-2H3,(H,23,26)(H,27,28)

InChI Key

XZJNKEGBFAIHBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-3.07

Polar Surface Area

58.087

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

F685-1376 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F685-1376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F685-1376?
Check Price and Availability of F685-1376, 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 F685-1376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F685-1376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F685-1376
  • 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 F685-1376 available by request