G331-0411 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0411 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0411 Screening compound: 1-(3,4-dimethoxyphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0411
1-(3,4-dimethoxyphenyl)-3-({1-[(2,4,6-trimethylphenyl)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

G331-0411

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

1-(3,4-dimethoxyphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

1-(34-dimethoxyphenyl)-3-({1-[(246-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

Cc1cc(C)c(Cn2c(CNC(Nc(cc3)cc(OC)c3OC)=O)ccc2)c(C)c1

InChI

InChI=1S/C24H29N3O3/c1-16-11-17(2)21(18(3)12-16)15-27-10-6-7-20(27)14-25-24(28)26-19-8-9-22(29-4)23(13-19)30-5/h6-13H,14-15H2,1-5H3,(H2,25,26,28)

InChI Key

SNVREMFPPYSXLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

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

4.912

Distribution Coefficient, logD

4.912

Water Solubility, LogSw

-4.62

Polar Surface Area

51.195

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G331-0411 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with G331-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0411?
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What is the minimum amount of G331-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0411
  • 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 G331-0411 available by request