Y202-9813 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Y202-9813 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Y202-9813 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-9813
2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

Y202-9813

Molecular Formula

C24H21FN2O3S (C24 H21 FN2 O3 S)

Compound Name

2-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

COc(cc1)c(COc(cc2)ccc2F)cc1C(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C24H21FN2O3S/c1-29-19-11-6-14(12-15(19)13-30-17-9-7-16(25)8-10-17)22-26-23(28)21-18-4-2-3-5-20(18)31-24(21)27-22/h6-12H,2-5,13H2,1H3,(H,26,27,28)

InChI Key

WVQNVZDXAWYUHQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-5.12

Polar Surface Area

49.572

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y202-9813 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y202-9813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-9813?
Check Price and Availability of Y202-9813, 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 Y202-9813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-9813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-9813
  • 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 Y202-9813 available by request