1077-0072 Screening compound: N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide

1077-0072 Screening compound: N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide
1077-0072 Screening compound: N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1077-0072
N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide

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

1077-0072

Molecular Formula

C37H58N2O3 (C37 H58 N2 O3)

Compound Name

N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide

IUPAC name

N'-(4-heptylbenzoyl)-4-(hexadecyloxy)benzohydrazide

SMILES

CCCCCCCCCCCCCCCCOc(cc1)ccc1C(NNC(c1ccc(CCCCCCC)cc1)=O)=O

InChI

InChI=1S/C37H58N2O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-31-42-35-29-27-34(28-30-35)37(41)39-38-36(40)33-25-23-32(24-26-33)22-20-18-8-6-4-2/h23-30H,3-22,31H2,1-2H3,(H,38,40)(H,39,41)

InChI Key

PBZQKAWVUSXDOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

27.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

13.165

Distribution Coefficient, logD

13.161

Water Solubility, LogSw

-5.80

Polar Surface Area

58.852

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.20

1077-0072 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1077-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1077-0072?
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What is the minimum amount of 1077-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1077-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1077-0072
  • 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 1077-0072 available by request