K285-5090 Screening compound: ethyl 2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-5090 Screening compound: ethyl 2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-5090 Screening compound: ethyl 2-{[(cyclohexylcarbamoyl)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 K285-5090
ethyl 2-{[(cyclohexylcarbamoyl)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

K285-5090

Molecular Formula

C26H31N3O4S2 (C26 H31 N3 O4 S2)

Compound Name

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

IUPAC name

ethyl 2-{[(cyclohexylcarbamoyl)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(NC2CCCCC2)=O)=N2)=O)c2s1)=O

InChI

InChI=1S/C26H31N3O4S2/c1-4-33-25(32)22-17(3)21-23(35-22)28-26(34-15-20(30)27-19-8-6-5-7-9-19)29(24(21)31)14-18-12-10-16(2)11-13-18/h10-13,19H,4-9,14-15H2,1-3H3,(H,27,30)

InChI Key

YDEWKENKVQUGAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.09

Polar Surface Area

70.624

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with K285-5090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5090?
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What is the minimum amount of K285-5090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5090
  • 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 K285-5090 available by request