G331-0038 Screening compound: ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]acetate

G331-0038 Screening compound: ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]acetate
G331-0038 Screening compound: ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0038
ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]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

G331-0038

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]acetate

IUPAC name

ethyl 2-[4-({[(1-benzyl-1H-pyrrol-2-yl)methyl]carbamoyl}amino)phenyl]acetate

SMILES

CCOC(Cc(cc1)ccc1NC(NCc1cccn1Cc1ccccc1)=O)=O

InChI

InChI=1S/C23H25N3O3/c1-2-29-22(27)15-18-10-12-20(13-11-18)25-23(28)24-16-21-9-6-14-26(21)17-19-7-4-3-5-8-19/h3-14H,2,15-17H2,1H3,(H2,24,25,28)

InChI Key

MDKVLBODMJFCOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-3.92

Polar Surface Area

56.093

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G331-0038 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G331-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0038?
Check Price and Availability of G331-0038, 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 G331-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0038
  • 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 G331-0038 available by request