D659-0227 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide

D659-0227 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
D659-0227 Screening compound: N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D659-0227
N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide

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

D659-0227

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide

IUPAC name

N-[(1H-indol-3-yl)(4-methoxyphenyl)methyl]-2-methoxy-N-methylbenzamide

SMILES

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

InChI

InChI=1S/C25H24N2O3/c1-27(25(28)20-9-5-7-11-23(20)30-3)24(17-12-14-18(29-2)15-13-17)21-16-26-22-10-6-4-8-19(21)22/h4-16,24,26H,1-3H3/t24-/m1/s1

InChI Key

SJFXYLRHOSPBHL-XMMPIXPASA-N

MDL Number (MFCD)

MFCD12921724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.47

Polar Surface Area

39.953

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

D659-0227 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 D659-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D659-0227?
Check Price and Availability of D659-0227, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D659-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D659-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D659-0227
  • 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 D659-0227 available by request