D757-0067 Screening compound: trans-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-5-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide

D757-0067 Screening compound: trans-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-5-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide
D757-0067 Screening compound: trans-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-5-yl}-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D757-0067
trans-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-5-yl}-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

D757-0067

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

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

IUPAC name

(1r4r)-N-{1-[2-(dimethylamino)ethyl]-1H-13-benzodiazol-5-yl}-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexane-1-carboxamide

SMILES

CN(C)CCn1c(ccc(NC([C@H]2CC[C@H](CN(Cc3c4cccc3)C4=O)CC2)=O)c2)c2nc1

InChI

InChI=1S/C27H33N5O2/c1-30(2)13-14-31-18-28-24-15-22(11-12-25(24)31)29-26(33)20-9-7-19(8-10-20)16-32-17-21-5-3-4-6-23(21)27(32)34/h3-6,11-12,15,18-20H,7-10,13-14,16-17H2,1-2H3,(H,29,33)

InChI Key

FTQLDLRBOMXWIK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.55

Polar Surface Area

54.469

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

D757-0067 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 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
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D757-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D757-0067?
Check Price and Availability of D757-0067, 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 D757-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D757-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D757-0067
  • 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 D757-0067 available by request