3230-1232 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

3230-1232 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
3230-1232 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-1232
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-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

3230-1232

Molecular Formula

C25H21FN2O4S2 (C25 H21 FN2 O4 S2)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

2-{[2-(34-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

COc(ccc(C(CSC(N1CC=C)=Nc(scc2-c(cc3)ccc3F)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C25H21FN2O4S2/c1-4-11-28-24(30)22-18(15-5-8-17(26)9-6-15)13-33-23(22)27-25(28)34-14-19(29)16-7-10-20(31-2)21(12-16)32-3/h4-10,12-13H,1,11,14H2,2-3H3

InChI Key

YEHQTYGNYVTBIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.85

Polar Surface Area

54.159

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3230-1232 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3230-1232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-1232?
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What is the minimum amount of 3230-1232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-1232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-1232
  • 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 3230-1232 available by request