C879-2370 Screening compound: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid

C879-2370 Screening compound: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
C879-2370 Screening compound: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2370
1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-{[(4-methylcyclohexyl)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

C879-2370

Molecular Formula

C24H32N2O2 (C24 H32 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1NCc1c(C)n(Cc2ccc(C=C)cc2)c(C)c1C(O)=O

InChI

InChI=1S/C24H32N2O2/c1-5-19-8-10-20(11-9-19)15-26-17(3)22(23(18(26)4)24(27)28)14-25-21-12-6-16(2)7-13-21/h5,8-11,16,21,25H,1,6-7,12-15H2,2-4H3,(H,27,28)

InChI Key

KXUDLTSVLZWJIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

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

5.305

Distribution Coefficient, logD

5.305

Water Solubility, LogSw

-5.36

Polar Surface Area

41.626

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C879-2370 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 C879-2370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2370?
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What is the minimum amount of C879-2370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2370
  • 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 C879-2370 available by request