G396-2272 Screening compound: 4-[(butylamino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

G396-2272 Screening compound: 4-[(butylamino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
G396-2272 Screening compound: 4-[(butylamino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-2272
4-[(butylamino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic 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

G396-2272

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

4-[(butylamino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

IUPAC name

4-[(butylamino)methyl]-25-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

SMILES

CCCCNCc(c(C(O)=O)c1C)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C19H26N2O2/c1-5-6-11-20-12-17-14(3)21(15(4)18(17)19(22)23)16-9-7-13(2)8-10-16/h7-10,20H,5-6,11-12H2,1-4H3,(H,22,23)

InChI Key

SBICNDLXHVQFMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.70

Polar Surface Area

42.966

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

12.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G396-2272 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-2272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-2272?
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What is the minimum amount of G396-2272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-2272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-2272
  • 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 G396-2272 available by request