C879-1758 Screening compound: 4-[(cyclooctylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid

C879-1758 Screening compound: 4-[(cyclooctylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
C879-1758 Screening compound: 4-[(cyclooctylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1758
4-[(cyclooctylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)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

C879-1758

Molecular Formula

C24H34N2O2 (C24 H34 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC2CCCCCCC2)c(C(O)=O)c(C)n1Cc1cc(C)ccc1

InChI

InChI=1S/C24H34N2O2/c1-17-10-9-11-20(14-17)16-26-18(2)22(23(19(26)3)24(27)28)15-25-21-12-7-5-4-6-8-13-21/h9-11,14,21,25H,4-8,12-13,15-16H2,1-3H3,(H,27,28)

InChI Key

QBXCWDFIJJYKIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.15

Polar Surface Area

41.957

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

C879-1758 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C879-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1758?
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What is the minimum amount of C879-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1758
  • 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 C879-1758 available by request