8006-4227 Screening compound: N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide

8006-4227 Screening compound: N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide
8006-4227 Screening compound: N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4227
N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide

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

8006-4227

Molecular Formula

C18H17N3O (C18 H17 N3 O)

Compound Name

N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide

IUPAC name

N-{4-[(E)-[(2-methyl-1H-indol-3-yl)methylidene]amino]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1/N=C/c1c(C)[nH]c2c1cccc2)=O

InChI

InChI=1S/C18H17N3O/c1-12-17(16-5-3-4-6-18(16)20-12)11-19-14-7-9-15(10-8-14)21-13(2)22/h3-11,20H,1-2H3,(H,21,22)

InChI Key

NJQCUBCDLPTTNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.38

Polar Surface Area

41.554

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8006-4227 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-4227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4227?
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What is the minimum amount of 8006-4227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4227
  • 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 8006-4227 available by request