K285-5083 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-5083 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-5083 Screening compound: ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-5083
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)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

K285-5083

Molecular Formula

C28H28N2O5S2 (C28 H28 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(N(Cc2ccc(C)cc2)C(SCc(cc(cc2)C(C)=O)c2OC)=N2)=O)c2s1)=O

InChI

InChI=1S/C28H28N2O5S2/c1-6-35-27(33)24-17(3)23-25(37-24)29-28(30(26(23)32)14-19-9-7-16(2)8-10-19)36-15-21-13-20(18(4)31)11-12-22(21)34-5/h7-13H,6,14-15H2,1-5H3

InChI Key

GYROOEIFPYHKSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.67

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

5.670

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.52

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

28.60

References: we are preparing a list of scientific research reports with K285-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5083?
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What is the minimum amount of K285-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5083
  • 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 K285-5083 available by request