G331-0151 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

G331-0151 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea
G331-0151 Screening compound: 3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0151
3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]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

G331-0151

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

IUPAC name

3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

SMILES

Cc1cccc(Cn2c(CNC(NCC3OCCC3)=O)ccc2)c1

InChI

InChI=1S/C19H25N3O2/c1-15-5-2-6-16(11-15)14-22-9-3-7-17(22)12-20-19(23)21-13-18-8-4-10-24-18/h2-3,5-7,9,11,18H,4,8,10,12-14H2,1H3,(H2,20,21,23)/t18-/m1/s1

InChI Key

XQWIMIPPTFUFAB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27135350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.65

Polar Surface Area

45.910

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

G331-0151 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with G331-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0151?
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What is the minimum amount of G331-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0151
  • 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 G331-0151 available by request