D092-0077 Screening compound: 2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

D092-0077 Screening compound: 2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide
D092-0077 Screening compound: 2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0077
2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

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

D092-0077

Molecular Formula

C25H32N6O3 (C25 H32 N6 O3)

Compound Name

2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

IUPAC name

2-[N-(3-hydroxyphenyl)-2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido]-N-(3-methylbutyl)butanamide

SMILES

CCC(C(NCCC(C)C)=O)N(C(Cn1nnc(-c2ccc(C)cc2)n1)=O)c1cc(O)ccc1

InChI

InChI=1S/C25H32N6O3/c1-5-22(25(34)26-14-13-17(2)3)31(20-7-6-8-21(32)15-20)23(33)16-30-28-24(27-29-30)19-11-9-18(4)10-12-19/h6-12,15,17,22,32H,5,13-14,16H2,1-4H3,(H,26,34)/t22-/m0/s1

InChI Key

JKFPBLVXYCJEEE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03121023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-3.83

Polar Surface Area

94.908

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D092-0077 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with D092-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0077?
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What is the minimum amount of D092-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0077
  • 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 D092-0077 available by request