G331-0079 Screening compound: 1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea

G331-0079 Screening compound: 1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea
G331-0079 Screening compound: 1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0079
1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea

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

G331-0079

Molecular Formula

C18H25N3O (C18 H25 N3 O)

Compound Name

1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea

IUPAC name

1-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-(3-methylbutyl)urea

SMILES

CC(C)CCNC(NCc1cccn1Cc1ccccc1)=O

InChI

InChI=1S/C18H25N3O/c1-15(2)10-11-19-18(22)20-13-17-9-6-12-21(17)14-16-7-4-3-5-8-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,19,20,22)

InChI Key

PSTLKERMXYOCAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.56

Polar Surface Area

37.369

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G331-0079 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G331-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0079?
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What is the minimum amount of G331-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0079
  • 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 G331-0079 available by request