G331-0417 Screening compound: 1-(5-chloro-2-methylphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0417 Screening compound: 1-(5-chloro-2-methylphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0417 Screening compound: 1-(5-chloro-2-methylphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0417
1-(5-chloro-2-methylphenyl)-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

G331-0417

Molecular Formula

C23H26ClN3O (C23 H26 ClN3 O)

Compound Name

1-(5-chloro-2-methylphenyl)-3-({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

IUPAC name

1-(5-chloro-2-methylphenyl)-3-({1-[(246-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

SMILES

Cc1cc(C)c(Cn2c(CNC(Nc3c(C)ccc(Cl)c3)=O)ccc2)c(C)c1

InChI

InChI=1S/C23H26ClN3O/c1-15-10-17(3)21(18(4)11-15)14-27-9-5-6-20(27)13-25-23(28)26-22-12-19(24)8-7-16(22)2/h5-12H,13-14H2,1-4H3,(H2,25,26,28)

InChI Key

PNQUJJYOZVVXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.93

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-5.97

Polar Surface Area

35.236

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with G331-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0417?
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What is the minimum amount of G331-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0417
  • 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 G331-0417 available by request