K285-0302 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0302 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0302 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0302
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

K285-0302

Molecular Formula

C27H25FN2O5S2 (C27 H25 FN2 O5 S2)

Compound Name

ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(Cc(cc2)ccc2F)C(SCc(cc(cc2)C(C)=O)c2OC)=N2)=O)c2s1)=O

InChI

InChI=1S/C27H25FN2O5S2/c1-5-35-26(33)23-15(2)22-24(37-23)29-27(30(25(22)32)13-17-6-9-20(28)10-7-17)36-14-19-12-18(16(3)31)8-11-21(19)34-4/h6-12H,5,13-14H2,1-4H3

InChI Key

DYEFFDSZHYCOTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.36

Polar Surface Area

67.884

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K285-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0302?
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What is the minimum amount of K285-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0302
  • 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 K285-0302 available by request