G537-2048 Screening compound: 4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

G537-2048 Screening compound: 4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid
G537-2048 Screening compound: 4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G537-2048
4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)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

G537-2048

Molecular Formula

C28H34FN3O2 (C28 H34 FN3 O2)

Compound Name

4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

IUPAC name

4-[(Z)-({[1-(adamantan-1-yl)propan-2-yl]amino}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

SMILES

CC(CC1(CC(C2)C3)CC3CC2C1)N/C(/NCc(cc1)ccc1F)=N\c(cc1)ccc1C(O)=O

InChI

InChI=1S/C28H34FN3O2/c1-18(13-28-14-20-10-21(15-28)12-22(11-20)16-28)31-27(30-17-19-2-6-24(29)7-3-19)32-25-8-4-23(5-9-25)26(33)34/h2-9,18,20-22H,10-17H2,1H3,(H,33,34)(H2,30,31,32)/t18-,20?,21?,22?,28?/m0/s1

InChI Key

ICAXCDHHUBKLGC-VZQOBPCUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.430

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-5.77

Polar Surface Area

56.878

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G537-2048 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)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G537-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G537-2048?
Check Price and Availability of G537-2048, 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 G537-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G537-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G537-2048
  • 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 G537-2048 available by request