T158-1580 Screening compound: 2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole

T158-1580 Screening compound: 2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole
T158-1580 Screening compound: 2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-1580
2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole

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

T158-1580

Molecular Formula

C22H23F2N3O2S (C22 H23 F2 N3 O2 S)

Compound Name

2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole

IUPAC name

2-{1-[(2-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1-[(4-fluorophenyl)methyl]-5-methyl-1H-imidazole

SMILES

Cc1cnc(C(CC2)CN2S(Cc(cccc2)c2F)(=O)=O)n1Cc(cc1)ccc1F

InChI

InChI=1S/C22H23F2N3O2S/c1-16-12-25-22(27(16)13-17-6-8-20(23)9-7-17)18-10-11-26(14-18)30(28,29)15-19-4-2-3-5-21(19)24/h2-9,12,18H,10-11,13-15H2,1H3/t18-/m1/s1

InChI Key

FIXFFSYWEVHTET-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31972917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.69

Polar Surface Area

43.056

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

T158-1580 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-1580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-1580?
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What is the minimum amount of T158-1580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-1580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-1580
  • 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 T158-1580 available by request