F036-0098 Screening compound: 3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]benzamide

F036-0098 Screening compound: 3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]benzamide
F036-0098 Screening compound: 3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0098
3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]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

F036-0098

Molecular Formula

C25H23ClN4O2 (C25 H23 ClN4 O2)

Compound Name

3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]benzamide

IUPAC name

3-chloro-N-[(E)-N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)carbamimidoyl]benzamide

SMILES

COc(cccc1)c1/N=C(\NCCc1c[nH]c2c1cccc2)/NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C25H23ClN4O2/c1-32-23-12-5-4-11-22(23)29-25(30-24(31)17-7-6-8-19(26)15-17)27-14-13-18-16-28-21-10-3-2-9-20(18)21/h2-12,15-16,28H,13-14H2,1H3,(H2,27,29,30,31)

InChI Key

KNXBEDDWJTXHAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-5.12

Polar Surface Area

58.496

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F036-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0098?
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What is the minimum amount of F036-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0098
  • 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 F036-0098 available by request