F036-1358 Screening compound: N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide

F036-1358 Screening compound: N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide
F036-1358 Screening compound: N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-1358
N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide

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

F036-1358

Molecular Formula

C27H27ClN4O2 (C27 H27 ClN4 O2)

Compound Name

N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide

IUPAC name

N-[(Z)-N'-(5-chloro-2-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(N/C(/NCCc1c[nH]c2c1cccc2)=N\c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C27H27ClN4O2/c1-3-34-22-12-9-19(10-13-22)26(33)32-27(31-25-16-21(28)11-8-18(25)2)29-15-14-20-17-30-24-7-5-4-6-23(20)24/h4-13,16-17,30H,3,14-15H2,1-2H3,(H2,29,31,32,33)

InChI Key

LPPFSAWJTQJVPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.918

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-6.08

Polar Surface Area

57.989

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F036-1358 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 F036-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-1358?
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What is the minimum amount of F036-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-1358
  • 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 F036-1358 available by request