C879-2029 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(5-methylfuran-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

C879-2029 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(5-methylfuran-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
C879-2029 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(5-methylfuran-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-2029
1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(5-methylfuran-2-yl)methyl]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

C879-2029

Molecular Formula

C21H22ClFN2O3 (C21 H22 ClFN2 O3)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-2,5-dimethyl-4-({[(5-methylfuran-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-25-dimethyl-4-({[(5-methylfuran-2-yl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid

SMILES

Cc1ccc(CNCc2c(C)n(Cc(c(F)ccc3)c3Cl)c(C)c2C(O)=O)o1

InChI

InChI=1S/C21H22ClFN2O3/c1-12-7-8-15(28-12)9-24-10-16-13(2)25(14(3)20(16)21(26)27)11-17-18(22)5-4-6-19(17)23/h4-8,24H,9-11H2,1-3H3,(H,26,27)

InChI Key

TTXIDLLJWDKGCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.28

Polar Surface Area

49.373

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

13.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C879-2029 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 C879-2029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-2029?
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What is the minimum amount of C879-2029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-2029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-2029
  • 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 C879-2029 available by request