8014-9920 Screening compound: 5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

8014-9920 Screening compound: 5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
8014-9920 Screening compound: 5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9920
5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-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

8014-9920

Molecular Formula

C14H10FN3OS2 (C14 H10 FN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(C(N=C(c(cc1)ccc1F)NC1=O)=C1S1)C1=S

InChI

InChI=1S/C14H10FN3OS2/c1-2-7-18-12-10(21-14(18)20)13(19)17-11(16-12)8-3-5-9(15)6-4-8/h2-6H,1,7H2,(H,16,17,19)

InChI Key

RSUGJJOLFRGRDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.44

Polar Surface Area

37.547

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8014-9920 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-9920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9920?
Check Price and Availability of 8014-9920, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-9920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9920
  • 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 8014-9920 available by request