D754-0088 Screening compound: 2-(6-chloro-1H-indol-1-yl)-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]acetamide

D754-0088 Screening compound: 2-(6-chloro-1H-indol-1-yl)-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]acetamide
D754-0088 Screening compound: 2-(6-chloro-1H-indol-1-yl)-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D754-0088
2-(6-chloro-1H-indol-1-yl)-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]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

D754-0088

Molecular Formula

C27H24ClN3O2 (C27 H24 ClN3 O2)

Compound Name

2-(6-chloro-1H-indol-1-yl)-N~1~-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]acetamide

IUPAC name

2-(6-chloro-1H-indol-1-yl)-N-[(2S)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylpropyl]acetamide

SMILES

O=C(Cn(cc1)c2c1ccc(Cl)c2)NC[C@@H](CN(Cc1c2cccc1)C2=O)c1ccccc1

InChI

InChI=1S/C27H24ClN3O2/c28-23-11-10-20-12-13-30(25(20)14-23)18-26(32)29-15-22(19-6-2-1-3-7-19)17-31-16-21-8-4-5-9-24(21)27(31)33/h1-14,22H,15-18H2,(H,29,32)/t22-/m0/s1

InChI Key

QQIKMENZRVQADT-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-5.31

Polar Surface Area

43.195

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

D754-0088 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 D754-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D754-0088?
Check Price and Availability of D754-0088, 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 D754-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D754-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D754-0088
  • 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 D754-0088 available by request