E644-0217 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E644-0217 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E644-0217 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E644-0217
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)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

E644-0217

Molecular Formula

C29H37N3O (C29 H37 N3 O)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(2-methyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

CC(C)N(CCCNC(c(cc1)ccc1-n1c(CCCC2)c2cc1C)=O)Cc1ccccc1

InChI

InChI=1S/C29H37N3O/c1-22(2)31(21-24-10-5-4-6-11-24)19-9-18-30-29(33)25-14-16-27(17-15-25)32-23(3)20-26-12-7-8-13-28(26)32/h4-6,10-11,14-17,20,22H,7-9,12-13,18-19,21H2,1-3H3,(H,30,33)

InChI Key

OUTKFVZPVAYQAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-4.60

Polar Surface Area

30.661

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with E644-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E644-0217?
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What is the minimum amount of E644-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E644-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E644-0217
  • 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 E644-0217 available by request