G331-0128 Screening compound: 1-(3,5-dimethoxyphenyl)-3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0128 Screening compound: 1-(3,5-dimethoxyphenyl)-3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0128 Screening compound: 1-(3,5-dimethoxyphenyl)-3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0128
1-(3,5-dimethoxyphenyl)-3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-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

G331-0128

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

1-(35-dimethoxyphenyl)-3-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

Cc1cccc(Cn2c(CNC(Nc3cc(OC)cc(OC)c3)=O)ccc2)c1

InChI

InChI=1S/C22H25N3O3/c1-16-6-4-7-17(10-16)15-25-9-5-8-19(25)14-23-22(26)24-18-11-20(27-2)13-21(12-18)28-3/h4-13H,14-15H2,1-3H3,(H2,23,24,26)

InChI Key

METBBHWPXDMGBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.41

Polar Surface Area

51.021

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with G331-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0128?
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What is the minimum amount of G331-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0128
  • 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 G331-0128 available by request