D753-0102 Screening compound: 3-(3-acetyl-1H-indol-1-yl)-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}propanamide

D753-0102 Screening compound: 3-(3-acetyl-1H-indol-1-yl)-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}propanamide
D753-0102 Screening compound: 3-(3-acetyl-1H-indol-1-yl)-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0102
3-(3-acetyl-1H-indol-1-yl)-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}propanamide

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

D753-0102

Molecular Formula

C28H31N3O3 (C28 H31 N3 O3)

Compound Name

3-(3-acetyl-1H-indol-1-yl)-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}propanamide

IUPAC name

3-(3-acetyl-1H-indol-1-yl)-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]propanamide

SMILES

CC(c1cn(CCC(N[C@H]2CC[C@H](CN(Cc3c4cccc3)C4=O)CC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C28H31N3O3/c1-19(32)25-18-30(26-9-5-4-8-24(25)26)15-14-27(33)29-22-12-10-20(11-13-22)16-31-17-21-6-2-3-7-23(21)28(31)34/h2-9,18,20,22H,10-17H2,1H3,(H,29,33)

InChI Key

HEOCRJMHKNTXFK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.79

Polar Surface Area

56.619

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.29

D753-0102 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D753-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0102?
Check Price and Availability of D753-0102, 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 D753-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0102
  • 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 D753-0102 available by request