S792-0237 Screening compound: 12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

S792-0237 Screening compound: 12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one
S792-0237 Screening compound: 12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S792-0237
12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-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

S792-0237

Molecular Formula

C25H39N5O2 (C25 H39 N5 O2)

Compound Name

12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[3,4-b]1,5-diazacycloundecan-9-one

IUPAC name

(9aS13aS)-12-(1-acetylpiperidin-4-yl)-1-[(pyridin-4-yl)methyl]-tetradecahydro-1H-pyrido[34-b]15-diazacycloundecan-9-one

SMILES

CC(N(CC1)CCC1N(CC[C@@H]12)C[C@@H]2N(Cc2ccncc2)CCCCCCNC1=O)=O

InChI

InChI=1S/C25H39N5O2/c1-20(31)28-15-8-22(9-16-28)29-17-10-23-24(19-29)30(18-21-6-12-26-13-7-21)14-5-3-2-4-11-27-25(23)32/h6-7,12-13,22-24H,2-5,8-11,14-19H2,1H3,(H,27,32)/t23-,24+/m1/s1

InChI Key

UBKSGOLPRGHKBV-RPWUZVMVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.993

Distribution Coefficient, logD

-2.182

Water Solubility, LogSw

-1.98

Polar Surface Area

58.409

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

10.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.00

S792-0237 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S792-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S792-0237?
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What is the minimum amount of S792-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S792-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S792-0237
  • 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 S792-0237 available by request