C800-0794 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide

C800-0794 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide
C800-0794 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0794
2-(2-chloro-6-fluorophenyl)-N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide

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

C800-0794

Molecular Formula

C22H22ClFN2O (C22 H22 ClFN2 O)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-{[25-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}acetamide

SMILES

Cc1cc(CNC(Cc(c(F)ccc2)c2Cl)=O)c(C)n1-c1ccc(C)cc1

InChI

InChI=1S/C22H22ClFN2O/c1-14-7-9-18(10-8-14)26-15(2)11-17(16(26)3)13-25-22(27)12-19-20(23)5-4-6-21(19)24/h4-11H,12-13H2,1-3H3,(H,25,27)

InChI Key

VLHGZGKVQGFAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.94

Polar Surface Area

27.103

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C800-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0794?
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What is the minimum amount of C800-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0794
  • 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 C800-0794 available by request