D391-0608 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide

D391-0608 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
D391-0608 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-0608
N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide

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

D391-0608

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide

IUPAC name

N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide

SMILES

CN(C(c1c[nH]c2c1cccc2)c(cc1)ccc1OC)C(COc(cccc1)c1OC)=O

InChI

InChI=1S/C26H26N2O4/c1-28(25(29)17-32-24-11-7-6-10-23(24)31-3)26(18-12-14-19(30-2)15-13-18)21-16-27-22-9-5-4-8-20(21)22/h4-16,26-27H,17H2,1-3H3/t26-/m1/s1

InChI Key

NCWVNJSAIUKQEI-AREMUKBSSA-N

MDL Number (MFCD)

MFCD12921506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.38

Polar Surface Area

47.012

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

D391-0608 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Immune system

References: we are preparing a list of scientific research reports with D391-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-0608?
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What is the minimum amount of D391-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-0608
  • 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 D391-0608 available by request