D431-0166 Screening compound: 5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

D431-0166 Screening compound: 5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
D431-0166 Screening compound: 5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D431-0166
5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-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

D431-0166

Molecular Formula

C17H17FN2O2S (C17 H17 FN2 O2 S)

Compound Name

5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(4-fluoro-3-methylphenyl)-3-(3-methoxypropyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc(cc(cc1)-c2csc(N=CN3CCCOC)c2C3=O)c1F

InChI

InChI=1S/C17H17FN2O2S/c1-11-8-12(4-5-14(11)18)13-9-23-16-15(13)17(21)20(10-19-16)6-3-7-22-2/h4-5,8-10H,3,6-7H2,1-2H3

InChI Key

FGZRJHLZWYLMPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.24

Polar Surface Area

34.562

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D431-0166 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D431-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D431-0166?
Check Price and Availability of D431-0166, 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 D431-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D431-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D431-0166
  • 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 D431-0166 available by request