G396-0808 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

G396-0808 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
G396-0808 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G396-0808
1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-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

G396-0808

Molecular Formula

C21H30N2O3 (C21 H30 N2 O3)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(25-dimethylphenyl)methyl]-4-{[(3-methoxypropyl)amino]methyl}-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNCCCOC)c(C(O)=O)c(C)n1Cc1c(C)ccc(C)c1

InChI

InChI=1S/C21H30N2O3/c1-14-7-8-15(2)18(11-14)13-23-16(3)19(12-22-9-6-10-26-5)20(17(23)4)21(24)25/h7-8,11,22H,6,9-10,12-13H2,1-5H3,(H,24,25)

InChI Key

BDPFZIJYBIVPDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.31

Polar Surface Area

50.565

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G396-0808 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G396-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G396-0808?
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What is the minimum amount of G396-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G396-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G396-0808
  • 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 G396-0808 available by request