SB82-0907 Screening compound: (9aR,12aS)-5-[(5-methyl-2-furyl)methyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

SB82-0907 Screening compound: (9aR,12aS)-5-[(5-methyl-2-furyl)methyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
SB82-0907 Screening compound: (9aR,12aS)-5-[(5-methyl-2-furyl)methyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB82-0907
(9aR,12aS)-5-[(5-methyl-2-furyl)methyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-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

SB82-0907

Molecular Formula

C18H29N3O4S (C18 H29 N3 O4 S)

Compound Name

(9aR,12aS)-5-[(5-methyl-2-furyl)methyl]-1-(methylsulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one

IUPAC name

(9aR12aS)-1-methanesulfonyl-5-[(5-methylfuran-2-yl)methyl]-tetradecahydrocyclopenta[f]148-triazacycloundecan-9-one

SMILES

Cc1ccc(CN(CCCN([C@@H]2[C@H]3CCC2)S(C)(=O)=O)CCNC3=O)o1

InChI

InChI=1S/C18H29N3O4S/c1-14-7-8-15(25-14)13-20-10-4-11-21(26(2,23)24)17-6-3-5-16(17)18(22)19-9-12-20/h7-8,16-17H,3-6,9-13H2,1-2H3,(H,19,22)/t16-,17+/m1/s1

InChI Key

VCJSJAJRYDVZEF-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.893

Distribution Coefficient, logD

0.408

Water Solubility, LogSw

-2.51

Polar Surface Area

68.281

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

SB82-0907 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with SB82-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB82-0907?
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What is the minimum amount of SB82-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB82-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB82-0907
  • 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 SB82-0907 available by request