G331-0452 Screening compound: ethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate

G331-0452 Screening compound: ethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate
G331-0452 Screening compound: ethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0452
ethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate

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

G331-0452

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

ethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate

IUPAC name

ethyl 2-{[({1-[(246-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}acetate

SMILES

CCOC(CNC(NCc1cccn1Cc1c(C)cc(C)cc1C)=O)=O

InChI

InChI=1S/C20H27N3O3/c1-5-26-19(24)12-22-20(25)21-11-17-7-6-8-23(17)13-18-15(3)9-14(2)10-16(18)4/h6-10H,5,11-13H2,1-4H3,(H2,21,22,25)

InChI Key

AYYMCGYWADRXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.54

Polar Surface Area

57.686

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G331-0452 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G331-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0452?
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What is the minimum amount of G331-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0452
  • 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 G331-0452 available by request