G331-0388 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

G331-0388 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea
G331-0388 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0388
3-({1-[(2,5-dimethylphenyl)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

G331-0388

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

IUPAC name

3-({1-[(25-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[(oxolan-2-yl)methyl]urea

SMILES

Cc1cc(Cn2c(CNC(NCC3OCCC3)=O)ccc2)c(C)cc1

InChI

InChI=1S/C20H27N3O2/c1-15-7-8-16(2)17(11-15)14-23-9-3-5-18(23)12-21-20(24)22-13-19-6-4-10-25-19/h3,5,7-9,11,19H,4,6,10,12-14H2,1-2H3,(H2,21,22,24)/t19-/m1/s1

InChI Key

VDXYCGZMDLLUCN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27135353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

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

3.112

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-2.97

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

45.00

G331-0388 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 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

References: we are preparing a list of scientific research reports with G331-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0388?
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What is the minimum amount of G331-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0388
  • 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 G331-0388 available by request