F694-1362 Screening compound: N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}phenyl]benzamide

F694-1362 Screening compound: N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}phenyl]benzamide
F694-1362 Screening compound: N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1362
N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)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

F694-1362

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}phenyl]benzamide

IUPAC name

N-[4-(azepan-1-yl)-3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}phenyl]benzamide

SMILES

COc(ccc(Cl)c1)c1NC(Nc(cc(cc1)NC(c2ccccc2)=O)c1N1CCCCCC1)=O

InChI

InChI=1S/C27H29ClN4O3/c1-35-25-14-11-20(28)17-23(25)31-27(34)30-22-18-21(29-26(33)19-9-5-4-6-10-19)12-13-24(22)32-15-7-2-3-8-16-32/h4-6,9-14,17-18H,2-3,7-8,15-16H2,1H3,(H,29,33)(H2,30,31,34)

InChI Key

LYCHDKQGWRBJBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.203

Distribution Coefficient, logD

5.944

Water Solubility, LogSw

-6.07

Polar Surface Area

65.350

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F694-1362 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F694-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1362?
Check Price and Availability of F694-1362, 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 F694-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1362
  • 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 F694-1362 available by request