G537-1767 Screening compound: 4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

G537-1767 Screening compound: 4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid
G537-1767 Screening compound: 4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G537-1767
4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

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

G537-1767

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

IUPAC name

4-[(E)-({[(adamantan-1-yl)methyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

SMILES

COc1cccc(CN/C(/NCC2(CC(C3)C4)CC4CC3C2)=N/c(cc2)ccc2C(O)=O)c1

InChI

InChI=1S/C27H33N3O3/c1-33-24-4-2-3-18(12-24)16-28-26(30-23-7-5-22(6-8-23)25(31)32)29-17-27-13-19-9-20(14-27)11-21(10-19)15-27/h2-8,12,19-21H,9-11,13-17H2,1H3,(H,31,32)(H2,28,29,30)

InChI Key

PUFCJBWIXGSCTL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.721

Distribution Coefficient, logD

5.721

Water Solubility, LogSw

-5.38

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

G537-1767 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G537-1767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G537-1767?
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What is the minimum amount of G537-1767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G537-1767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G537-1767
  • 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 G537-1767 available by request