C799-0119 Screening compound: 1-benzyl-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C799-0119 Screening compound: 1-benzyl-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C799-0119 Screening compound: 1-benzyl-4-({[(4-ethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0119
1-benzyl-4-({[(4-ethoxyphenyl)methyl]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

C799-0119

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNCc2c(C)n(Cc3ccccc3)c(C)c2C(O)=O)cc1

InChI

InChI=1S/C24H28N2O3/c1-4-29-21-12-10-19(11-13-21)14-25-15-22-17(2)26(18(3)23(22)24(27)28)16-20-8-6-5-7-9-20/h5-13,25H,4,14-16H2,1-3H3,(H,27,28)

InChI Key

VTROSBJVSBSZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.16

Polar Surface Area

49.233

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C799-0119 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C799-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0119?
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What is the minimum amount of C799-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0119
  • 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 C799-0119 available by request