S783-0155 Screening compound: 5-({(2S)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one

S783-0155 Screening compound: 5-({(2S)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one
S783-0155 Screening compound: 5-({(2S)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S783-0155
5-({(2S)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one

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

S783-0155

Molecular Formula

C22H30F3N3O2 (C22 H30 F3 N3 O2)

Compound Name

5-({(2S)-1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-2-yl}carbonyl)-1,5-diazacycloundecan-2-one

IUPAC name

5-[(2S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-2-carbonyl]-15-diazacycloundecan-2-one

SMILES

O=C([C@H]1N(Cc2ccc(C(F)(F)F)cc2)CCC1)N(CCCCCCN1)CCC1=O

InChI

InChI=1S/C22H30F3N3O2/c23-22(24,25)18-9-7-17(8-10-18)16-28-14-5-6-19(28)21(30)27-13-4-2-1-3-12-26-20(29)11-15-27/h7-10,19H,1-6,11-16H2,(H,26,29)/t19-/m0/s1

InChI Key

OLVLQSGXGNGXLO-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.77

Polar Surface Area

46.199

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S783-0155 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S783-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S783-0155?
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What is the minimum amount of S783-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S783-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S783-0155
  • 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 S783-0155 available by request