S793-0063 Screening compound: (9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one

S793-0063 Screening compound: (9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
S793-0063 Screening compound: (9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S793-0063
(9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-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

S793-0063

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1c(C(N(CC[C@H]23)C[C@@H]3N(Cc3ccncc3)CCCCCCNC2=O)=O)ocn1

InChI

InChI=1S/C23H31N5O3/c1-17-21(31-16-26-17)23(30)28-13-8-19-20(15-28)27(14-18-6-10-24-11-7-18)12-5-3-2-4-9-25-22(19)29/h6-7,10-11,16,19-20H,2-5,8-9,12-15H2,1H3,(H,25,29)/t19-,20-/m0/s1

InChI Key

GLJLKUGOZNZGDP-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.578

Distribution Coefficient, logD

0.554

Water Solubility, LogSw

-1.68

Polar Surface Area

73.490

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

S793-0063 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S793-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S793-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S793-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S793-0063
  • 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 S793-0063 available by request