F694-1353 Screening compound: N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide

F694-1353 Screening compound: N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide
F694-1353 Screening compound: N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1353
N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide

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

F694-1353

Molecular Formula

C26H27ClN4O2 (C26 H27 ClN4 O2)

Compound Name

N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide

IUPAC name

N-[4-(azepan-1-yl)-3-{[(4-chlorophenyl)carbamoyl]amino}phenyl]benzamide

SMILES

O=C(c1ccccc1)Nc(cc1)cc(NC(Nc(cc2)ccc2Cl)=O)c1N1CCCCCC1

InChI

InChI=1S/C26H27ClN4O2/c27-20-10-12-21(13-11-20)29-26(33)30-23-18-22(28-25(32)19-8-4-3-5-9-19)14-15-24(23)31-16-6-1-2-7-17-31/h3-5,8-15,18H,1-2,6-7,16-17H2,(H,28,32)(H2,29,30,33)

InChI Key

HJKNJINFKPUIJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.544

Distribution Coefficient, logD

6.285

Water Solubility, LogSw

-6.46

Polar Surface Area

58.417

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F694-1353 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with F694-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1353?
Check Price and Availability of F694-1353, 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 F694-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1353
  • 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 F694-1353 available by request