C879-1400 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

C879-1400 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid
C879-1400 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-1400
1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-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

C879-1400

Molecular Formula

C27H32N2O2 (C27 H32 N2 O2)

Compound Name

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

IUPAC name

1-[(25-dimethylphenyl)methyl]-25-dimethyl-4-{[(1234-tetrahydronaphthalen-1-yl)amino]methyl}-1H-pyrrole-3-carboxylic acid

SMILES

Cc1c(CNC(CCC2)c3c2cccc3)c(C(O)=O)c(C)n1Cc1c(C)ccc(C)c1

InChI

InChI=1S/C27H32N2O2/c1-17-12-13-18(2)22(14-17)16-29-19(3)24(26(20(29)4)27(30)31)15-28-25-11-7-9-21-8-5-6-10-23(21)25/h5-6,8,10,12-14,25,28H,7,9,11,15-16H2,1-4H3,(H,30,31)/t25-/m0/s1

InChI Key

RITIVUBXODPJGZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14803385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

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

5.619

Distribution Coefficient, logD

5.619

Water Solubility, LogSw

-5.20

Polar Surface Area

41.745

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C879-1400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C879-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-1400?
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What is the minimum amount of C879-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-1400
  • 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 C879-1400 available by request