D750-0106 Screening compound: N-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide

D750-0106 Screening compound: N-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide
D750-0106 Screening compound: N-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0106
N-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]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

D750-0106

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

N-[3-(1H-1,3-benzimidazol-2-yl)propyl]-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)propyl]-2-[1-(1-oxo-23-dihydro-1H-isoindol-2-yl)cyclohexyl]acetamide

SMILES

O=C(CC1(CCCCC1)N(Cc1c2cccc1)C2=O)NCCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C26H30N4O2/c31-24(27-16-8-13-23-28-21-11-4-5-12-22(21)29-23)17-26(14-6-1-7-15-26)30-18-19-9-2-3-10-20(19)25(30)32/h2-5,9-12H,1,6-8,13-18H2,(H,27,31)(H,28,29)

InChI Key

ZSLJMMOUSDDNPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.67

Polar Surface Area

60.543

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

D750-0106 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D750-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0106?
Check Price and Availability of D750-0106, 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 D750-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0106
  • 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 D750-0106 available by request