S790-0277 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

S790-0277 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
S790-0277 Screening compound: 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S790-0277
5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-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

S790-0277

Molecular Formula

C21H29N5O4S2 (C21 H29 N5 O4 S2)

Compound Name

5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one

IUPAC name

5-[1-(213-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-15-diazacycloundecan-2-one

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)N(CCCCCCN1)CCC1=O

InChI

InChI=1S/C21H29N5O4S2/c27-19-10-13-25(12-4-2-1-3-11-22-19)21(28)16-8-14-26(15-9-16)32(29,30)18-7-5-6-17-20(18)24-31-23-17/h5-7,16H,1-4,8-15H2,(H,22,27)

InChI Key

LHPZERUFFXVQDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30461586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

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

1.542

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.29

Polar Surface Area

94.905

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S790-0277 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 S790-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S790-0277?
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What is the minimum amount of S790-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S790-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S790-0277
  • 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 S790-0277 available by request