D753-0090 Screening compound: 3,4-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(1H-tetrazol-1-yl)benzamide

D753-0090 Screening compound: 3,4-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(1H-tetrazol-1-yl)benzamide
D753-0090 Screening compound: 3,4-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(1H-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D753-0090
3,4-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(1H-tetrazol-1-yl)benzamide

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

D753-0090

Molecular Formula

C25H28N6O2 (C25 H28 N6 O2)

Compound Name

3,4-dimethyl-N-{trans-4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}-2-(1H-tetrazol-1-yl)benzamide

IUPAC name

34-dimethyl-N-[(1r4r)-4-[(1-oxo-23-dihydro-1H-isoindol-2-yl)methyl]cyclohexyl]-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

Cc(cc1)c(C)c(-n2nnnc2)c1C(N[C@H]1CC[C@H](CN(Cc2c3cccc2)C3=O)CC1)=O

InChI

InChI=1S/C25H28N6O2/c1-16-7-12-22(23(17(16)2)31-15-26-28-29-31)24(32)27-20-10-8-18(9-11-20)13-30-14-19-5-3-4-6-21(19)25(30)33/h3-7,12,15,18,20H,8-11,13-14H2,1-2H3,(H,27,32)

InChI Key

BBHGBSCZZZFLHA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.42

Polar Surface Area

80.187

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D753-0090 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D753-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D753-0090?
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What is the minimum amount of D753-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D753-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D753-0090
  • 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 D753-0090 available by request