C879-0417 Screening compound: 1-benzyl-2,5-dimethyl-4-{[(1-phenylbutan-2-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

C879-0417 Screening compound: 1-benzyl-2,5-dimethyl-4-{[(1-phenylbutan-2-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
C879-0417 Screening compound: 1-benzyl-2,5-dimethyl-4-{[(1-phenylbutan-2-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-0417
1-benzyl-2,5-dimethyl-4-{[(1-phenylbutan-2-yl)amino]methyl}-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

C879-0417

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

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

IUPAC name

1-benzyl-25-dimethyl-4-{[(1-phenylbutan-2-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

CCC(Cc1ccccc1)NCc1c(C)n(Cc2ccccc2)c(C)c1C(O)=O

InChI

InChI=1S/C25H30N2O2/c1-4-22(15-20-11-7-5-8-12-20)26-16-23-18(2)27(19(3)24(23)25(28)29)17-21-13-9-6-10-14-21/h5-14,22,26H,4,15-17H2,1-3H3,(H,28,29)/t22-/m0/s1

InChI Key

RFXXYWSRRYXKNE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14803172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.78

Polar Surface Area

41.809

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C879-0417 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C879-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-0417?
Check Price and Availability of C879-0417, 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 C879-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-0417
  • 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 C879-0417 available by request