G537-1876 Screening compound: 4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

G537-1876 Screening compound: 4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid
G537-1876 Screening compound: 4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G537-1876
4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]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

G537-1876

Molecular Formula

C28H35N3O3S (C28 H35 N3 O3 S)

Compound Name

4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

IUPAC name

4-[(Z)-({[2-(adamantan-1-ylsulfanyl)ethyl]amino}({[(3-methoxyphenyl)methyl]amino})methylidene)amino]benzoic acid

SMILES

COc1cccc(CN/C(/NCCSC2(CC(C3)C4)CC4CC3C2)=N/c(cc2)ccc2C(O)=O)c1

InChI

InChI=1S/C28H35N3O3S/c1-34-25-4-2-3-19(14-25)18-30-27(31-24-7-5-23(6-8-24)26(32)33)29-9-10-35-28-15-20-11-21(16-28)13-22(12-20)17-28/h2-8,14,20-22H,9-13,15-18H2,1H3,(H,32,33)(H2,29,30,31)

InChI Key

MNBOSRNOTJEADU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

493.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.794

Distribution Coefficient, logD

5.794

Water Solubility, LogSw

-5.38

Polar Surface Area

64.821

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G537-1876 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 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
  • 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with G537-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G537-1876?
Check Price and Availability of G537-1876, 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 G537-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G537-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G537-1876
  • 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 G537-1876 available by request