G354-0458 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide

G354-0458 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
G354-0458 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G354-0458
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)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

G354-0458

Molecular Formula

C22H22N2O4 (C22 H22 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide

SMILES

COc1ccc(C(CC(NCc(cc2)cc3c2OCO3)=O)n2cccc2)cc1

InChI

InChI=1S/C22H22N2O4/c1-26-18-7-5-17(6-8-18)19(24-10-2-3-11-24)13-22(25)23-14-16-4-9-20-21(12-16)28-15-27-20/h2-12,19H,13-15H2,1H3,(H,23,25)/t19-/m0/s1

InChI Key

VSQOPSCNRXKKLY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15001093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.64

Polar Surface Area

52.620

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with G354-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G354-0458?
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What is the minimum amount of G354-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G354-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G354-0458
  • 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 G354-0458 available by request