S783-0154 Screening compound: 5-{[(2S)-1-(3-fluorobenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one

S783-0154 Screening compound: 5-{[(2S)-1-(3-fluorobenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
S783-0154 Screening compound: 5-{[(2S)-1-(3-fluorobenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S783-0154
5-{[(2S)-1-(3-fluorobenzyl)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

S783-0154

Molecular Formula

C21H30FN3O2 (C21 H30 FN3 O2)

Compound Name

5-{[(2S)-1-(3-fluorobenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one

IUPAC name

5-[(2S)-1-[(3-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-15-diazacycloundecan-2-one

SMILES

O=C([C@H]1N(Cc2cccc(F)c2)CCC1)N(CCCCCCN1)CCC1=O

InChI

InChI=1S/C21H30FN3O2/c22-18-8-5-7-17(15-18)16-25-13-6-9-19(25)21(27)24-12-4-2-1-3-11-23-20(26)10-14-24/h5,7-8,15,19H,1-4,6,9-14,16H2,(H,23,26)/t19-/m0/s1

InChI Key

IREHKUZWFMYKPB-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.13

Polar Surface Area

46.199

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

S783-0154 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S783-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S783-0154?
Check Price and Availability of S783-0154, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S783-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S783-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S783-0154
  • 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 S783-0154 available by request