S764-0966 Screening compound: 8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one

S764-0966 Screening compound: 8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
S764-0966 Screening compound: 8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S764-0966
8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-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

S764-0966

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one

IUPAC name

8-(benzenesulfonyl)-1-(23-dihydro-14-benzodioxine-2-carbonyl)-148-triazacycloundecan-5-one

SMILES

O=C(C1Oc(cccc2)c2OC1)N(CCCN(CC1)S(c2ccccc2)(=O)=O)CCNC1=O

InChI

InChI=1S/C23H27N3O6S/c27-22-11-15-26(33(29,30)18-7-2-1-3-8-18)14-6-13-25(16-12-24-22)23(28)21-17-31-19-9-4-5-10-20(19)32-21/h1-5,7-10,21H,6,11-17H2,(H,24,27)/t21-/m0/s1

InChI Key

VPMCXQNDGFVGAX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30461443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.296

Distribution Coefficient, logD

1.296

Water Solubility, LogSw

-2.35

Polar Surface Area

89.197

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S764-0966 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S764-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S764-0966?
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What is the minimum amount of S764-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S764-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S764-0966
  • 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 S764-0966 available by request