C604-0065 Screening compound: 4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

C604-0065 Screening compound: 4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide
C604-0065 Screening compound: 4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C604-0065
4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

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

C604-0065

Molecular Formula

C25H24FN3O4S2 (C25 H24 FN3 O4 S2)

Compound Name

4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(2-methoxyethyl)butanamide

IUPAC name

4-(4-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl)-N-(2-methoxyethyl)butanamide

SMILES

COCCNC(CCCN(C1=O)C(SCC(c(cc2)ccc2F)=O)=Nc2c1sc1c2cccc1)=O

InChI

InChI=1S/C25H24FN3O4S2/c1-33-14-12-27-21(31)7-4-13-29-24(32)23-22(18-5-2-3-6-20(18)35-23)28-25(29)34-15-19(30)16-8-10-17(26)11-9-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H,27,31)

InChI Key

DSJSXQJLCDBQFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.48

Polar Surface Area

70.418

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C604-0065 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C604-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C604-0065?
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What is the minimum amount of C604-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C604-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C604-0065
  • 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 C604-0065 available by request