G331-0366 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[3-(trifluoromethyl)phenyl]urea

G331-0366 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[3-(trifluoromethyl)phenyl]urea
G331-0366 Screening compound: 3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0366
3-({1-[(2,5-dimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-[3-(trifluoromethyl)phenyl]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

G331-0366

Molecular Formula

C22H22F3N3O (C22 H22 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Cn2c(CNC(Nc3cccc(C(F)(F)F)c3)=O)ccc2)c(C)cc1

InChI

InChI=1S/C22H22F3N3O/c1-15-8-9-16(2)17(11-15)14-28-10-4-7-20(28)13-26-21(29)27-19-6-3-5-18(12-19)22(23,24)25/h3-12H,13-14H2,1-2H3,(H2,26,27,29)

InChI Key

ZTGFDMKXRXPYPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

6.063

Water Solubility, LogSw

-5.49

Polar Surface Area

35.934

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G331-0366 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G331-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0366?
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What is the minimum amount of G331-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0366
  • 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 G331-0366 available by request