C856-5647 Screening compound: 2-(2-BENZOYL-1H-PYRROL-1-YL)-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE

C856-5647 Screening compound: 2-(2-BENZOYL-1H-PYRROL-1-YL)-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE
C856-5647 Screening compound: 2-(2-BENZOYL-1H-PYRROL-1-YL)-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C856-5647
2-(2-BENZOYL-1H-PYRROL-1-YL)-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE

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

C856-5647

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

2-(2-BENZOYL-1H-PYRROL-1-YL)-N-[(4-METHOXYPHENYL)METHYL]PROPANAMIDE

IUPAC name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

CC(C(NCc(cc1)ccc1OC)=O)n1c(C(c2ccccc2)=O)ccc1

InChI

InChI=1S/C22H22N2O3/c1-16(22(26)23-15-17-10-12-19(27-2)13-11-17)24-14-6-9-20(24)21(25)18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,23,26)/t16-/m0/s1

InChI Key

QFESAGODXZTNFT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14800882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

3.464

Water Solubility, LogSw

-3.61

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C856-5647 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C856-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C856-5647?
Check Price and Availability of C856-5647, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C856-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C856-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C856-5647
  • 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 C856-5647 available by request