C852-0727 Screening compound: N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide

C852-0727 Screening compound: N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide
C852-0727 Screening compound: N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0727
N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide

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

C852-0727

Molecular Formula

C24H27ClN2O3 (C24 H27 ClN2 O3)

Compound Name

N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxamide

SMILES

Cc(n(CCCOC)c(-c(cc1)ccc1OC)c1)c1C(NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C24H27ClN2O3/c1-17-21(24(28)26-16-19-7-4-5-8-22(19)25)15-23(27(17)13-6-14-29-2)18-9-11-20(30-3)12-10-18/h4-5,7-12,15H,6,13-14,16H2,1-3H3,(H,26,28)

InChI Key

QCOLWSRMMIUHPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.72

Polar Surface Area

41.467

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C852-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0727?
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What is the minimum amount of C852-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0727
  • 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 C852-0727 available by request