S783-0153 Screening compound: 5-{[(2S)-1-(2,3-dimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one

S783-0153 Screening compound: 5-{[(2S)-1-(2,3-dimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
S783-0153 Screening compound: 5-{[(2S)-1-(2,3-dimethoxybenzyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S783-0153
5-{[(2S)-1-(2,3-dimethoxybenzyl)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

S783-0153

Molecular Formula

C23H35N3O4 (C23 H35 N3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

COc1cccc(CN(CCC2)[C@@H]2C(N(CCCCCCN2)CCC2=O)=O)c1OC

InChI

InChI=1S/C23H35N3O4/c1-29-20-11-7-9-18(22(20)30-2)17-26-15-8-10-19(26)23(28)25-14-6-4-3-5-13-24-21(27)12-16-25/h7,9,11,19H,3-6,8,10,12-17H2,1-2H3,(H,24,27)/t19-/m0/s1

InChI Key

DKYZOXJHWSCDQC-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.050

Water Solubility, LogSw

-2.12

Polar Surface Area

61.547

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

S783-0153 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 S783-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S783-0153?
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What is the minimum amount of S783-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S783-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S783-0153
  • 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 S783-0153 available by request