D753-0027 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

D753-0027 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
D753-0027 Screening compound: N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0027
N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

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

D753-0027

Molecular Formula

C27H28N4O2 (C27 H28 N4 O2)

Compound Name

N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

IUPAC name

N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]-1H4H5H-benzo[g]indazole-3-carboxamide

SMILES

O=C(c1n[nH]c-2c1CCc1c2cccc1)N[C@H]1CC[C@H](CN(Cc2c3cccc2)C3=O)CC1

InChI

InChI=1S/C27H28N4O2/c32-26(25-23-14-11-18-5-1-3-7-21(18)24(23)29-30-25)28-20-12-9-17(10-13-20)15-31-16-19-6-2-4-8-22(19)27(31)33/h1-8,17,20H,9-16H2,(H,28,32)(H,29,30)

InChI Key

HVOJQQALIXHXIB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.50

Polar Surface Area

65.065

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

D753-0027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D753-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0027?
Check Price and Availability of D753-0027, 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 D753-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0027
  • 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 D753-0027 available by request