D754-0118 Screening compound: 1-(2-methoxyethyl)-N~5~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide

D754-0118 Screening compound: 1-(2-methoxyethyl)-N~5~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide
D754-0118 Screening compound: 1-(2-methoxyethyl)-N~5~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0118
1-(2-methoxyethyl)-N~5~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide

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

D754-0118

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

1-(2-methoxyethyl)-N~5~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide

IUPAC name

1-(2-methoxyethyl)-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]-1H-indole-5-carboxamide

SMILES

COCCn(cc1)c(cc2)c1cc2C(NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1)=O

InChI

InChI=1S/C29H29N3O3/c1-35-16-15-31-14-13-22-17-23(11-12-27(22)31)28(33)30-18-25(21-7-3-2-4-8-21)20-32-19-24-9-5-6-10-26(24)29(32)34/h2-14,17,25H,15-16,18-20H2,1H3,(H,30,33)/t25-/m0/s1

InChI Key

BHPDMDSVNQSQLL-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.13

Polar Surface Area

51.730

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

D754-0118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D754-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0118?
Check Price and Availability of D754-0118, 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 D754-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0118
  • 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 D754-0118 available by request