D757-0006 Screening compound: trans-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide

D757-0006 Screening compound: trans-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide
D757-0006 Screening compound: trans-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D757-0006
trans-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide

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

D757-0006

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

trans-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide

IUPAC name

(1r4r)-N-[2-(5-methyl-1H-indol-1-yl)ethyl]-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide

SMILES

Cc(cc1)cc2c1n(CCNC([C@H]1CC[C@H](CN(Cc3c4cccc3)C4=O)CC1)=O)cc2

InChI

InChI=1S/C27H31N3O2/c1-19-6-11-25-22(16-19)12-14-29(25)15-13-28-26(31)21-9-7-20(8-10-21)17-30-18-23-4-2-3-5-24(23)27(30)32/h2-6,11-12,14,16,20-21H,7-10,13,15,17-18H2,1H3,(H,28,31)

InChI Key

NKYSESZGELPMAE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

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

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.54

Polar Surface Area

43.421

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

D757-0006 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D757-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D757-0006?
Check Price and Availability of D757-0006, 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 D757-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D757-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D757-0006
  • 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 D757-0006 available by request