C798-1011 Screening compound: 3-{9-OXO-2-THIA-4,10-DIAZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-10-YL}-N-(PROP-2-EN-1-YL)PROPANAMIDE

C798-1011 Screening compound: 3-{9-OXO-2-THIA-4,10-DIAZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-10-YL}-N-(PROP-2-EN-1-YL)PROPANAMIDE
C798-1011 Screening compound: 3-{9-OXO-2-THIA-4,10-DIAZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-10-YL}-N-(PROP-2-EN-1-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1011
3-{9-OXO-2-THIA-4,10-DIAZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-10-YL}-N-(PROP-2-EN-1-YL)PROPANAMIDE

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

C798-1011

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

3-{9-OXO-2-THIA-4,10-DIAZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3(8),4,6,12,14-HEXAEN-10-YL}-N-(PROP-2-EN-1-YL)PROPANAMIDE

IUPAC name

3-{9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-yl}-N-(prop-2-en-1-yl)propanamide

SMILES

C=CCNC(CCN(c(cccc1)c1Sc1ncccc11)C1=O)=O

InChI

InChI=1S/C18H17N3O2S/c1-2-10-19-16(22)9-12-21-14-7-3-4-8-15(14)24-17-13(18(21)23)6-5-11-20-17/h2-8,11H,1,9-10,12H2,(H,19,22)

InChI Key

XGGIPVIARBFBNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.84

Polar Surface Area

51.016

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C798-1011 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C798-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1011?
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What is the minimum amount of C798-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1011
  • 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 C798-1011 available by request