8017-5536 Screening compound: 3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

8017-5536 Screening compound: 3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
8017-5536 Screening compound: 3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5536
3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-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

8017-5536

Molecular Formula

C16H15N3O2S2 (C16 H15 N3 O2 S2)

Compound Name

3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-ethyl-5-[4-(prop-2-en-1-yloxy)phenyl]-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCN(C(N=C(c(cc1)ccc1OCC=C)NC1=O)=C1S1)C1=S

InChI

InChI=1S/C16H15N3O2S2/c1-3-9-21-11-7-5-10(6-8-11)13-17-14-12(15(20)18-13)23-16(22)19(14)4-2/h3,5-8H,1,4,9H2,2H3,(H,17,18,20)

InChI Key

SFBAWQJBCMDEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.38

Polar Surface Area

44.712

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8017-5536 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-5536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5536?
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What is the minimum amount of 8017-5536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5536
  • 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 8017-5536 available by request