6197-5984 Screening compound: 4-(2-OXOPROPYL)-8-THIA-4,5,6-TRIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

6197-5984 Screening compound: 4-(2-OXOPROPYL)-8-THIA-4,5,6-TRIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
6197-5984 Screening compound: 4-(2-OXOPROPYL)-8-THIA-4,5,6-TRIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5984
4-(2-OXOPROPYL)-8-THIA-4,5,6-TRIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-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

6197-5984

Molecular Formula

C12H13N3O2S (C12 H13 N3 O2 S)

Compound Name

4-(2-OXOPROPYL)-8-THIA-4,5,6-TRIAZATRICYCLO[7.4.0.0^(2,7)]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

IUPAC name

n/a

SMILES

CC(CN1N=Nc(sc2c3CCCC2)c3C1=O)=O

InChI

InChI=1S/C12H13N3O2S/c1-7(16)6-15-12(17)10-8-4-2-3-5-9(8)18-11(10)13-14-15/h2-6H2,1H3

InChI Key

JXGKNMZLMDVTND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04066155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-1.93

Polar Surface Area

54.362

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6197-5984 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6197-5984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5984?
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What is the minimum amount of 6197-5984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5984
  • 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 6197-5984 available by request