F694-1452 Screening compound: 2-chloro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(piperidin-1-yl)phenyl]benzamide

F694-1452 Screening compound: 2-chloro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(piperidin-1-yl)phenyl]benzamide
F694-1452 Screening compound: 2-chloro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(piperidin-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1452
2-chloro-N-[3-({[(3-methoxyphenyl)methyl]carbamoyl}amino)-4-(piperidin-1-yl)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

F694-1452

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(Nc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2N2CCCCC2)=O)c1

InChI

InChI=1S/C27H29ClN4O3/c1-35-21-9-7-8-19(16-21)18-29-27(34)31-24-17-20(12-13-25(24)32-14-5-2-6-15-32)30-26(33)22-10-3-4-11-23(22)28/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3,(H,30,33)(H2,29,31,34)

InChI Key

FOZXPWYLAYEVHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964145

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.72

Polar Surface Area

66.952

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F694-1452 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F694-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1452?
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What is the minimum amount of F694-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1452
  • 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 F694-1452 available by request