S793-0248 Screening compound: (9aR,13aS)-12-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

S793-0248 Screening compound: (9aR,13aS)-12-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
S793-0248 Screening compound: (9aR,13aS)-12-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0248
(9aR,13aS)-12-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-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

S793-0248

Molecular Formula

C22H32N6O3S (C22 H32 N6 O3 S)

Compound Name

(9aR,13aS)-12-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

IUPAC name

n/a

SMILES

Cn1cnc(S(N(CC[C@@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)(=O)=O)c1

InChI

InChI=1S/C22H32N6O3S/c1-26-16-21(25-17-26)32(30,31)28-13-8-19-20(15-28)27(14-18-6-10-23-11-7-18)12-5-3-2-4-9-24-22(19)29/h6-7,10-11,16-17,19-20H,2-5,8-9,12-15H2,1H3,(H,24,29)/t19-,20+/m1/s1

InChI Key

HTKLSWHIVGWQDE-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.099

Distribution Coefficient, logD

0.075

Water Solubility, LogSw

-2.14

Polar Surface Area

82.050

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

S793-0248 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S793-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S793-0248?
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What is the minimum amount of S793-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0248
  • 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 S793-0248 available by request