C791-0492 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide

C791-0492 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
C791-0492 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0492
N-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dimethyl-5-phenyl-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

C791-0492

Molecular Formula

C21H21BrN2O2 (C21 H21 BrN2 O2)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-12-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide

SMILES

Cc(n(C)c(-c1ccccc1)c1)c1C(NCc(cc(cc1)Br)c1OC)=O

InChI

InChI=1S/C21H21BrN2O2/c1-14-18(12-19(24(14)2)15-7-5-4-6-8-15)21(25)23-13-16-11-17(22)9-10-20(16)26-3/h4-12H,13H2,1-3H3,(H,23,25)

InChI Key

XFUVJONFPDIZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-4.65

Polar Surface Area

34.043

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C791-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0492?
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What is the minimum amount of C791-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0492
  • 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 C791-0492 available by request