K285-0402 Screening compound: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0402 Screening compound: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0402 Screening compound: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0402
ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-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

K285-0402

Molecular Formula

C25H20ClF3N2O4S2 (C25 H20 ClF3 N2 O4 S2)

Compound Name

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

IUPAC name

ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(Cc2cccc(Cl)c2)C(SCc(cc2)ccc2OC(F)(F)F)=N2)=O)c2s1)=O

InChI

InChI=1S/C25H20ClF3N2O4S2/c1-3-34-23(33)20-14(2)19-21(37-20)30-24(31(22(19)32)12-16-5-4-6-17(26)11-16)36-13-15-7-9-18(10-8-15)35-25(27,28)29/h4-11H,3,12-13H2,1-2H3

InChI Key

LVDMPDRUAZDJHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.135

Distribution Coefficient, logD

7.135

Water Solubility, LogSw

-6.46

Polar Surface Area

52.364

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K285-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0402?
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What is the minimum amount of K285-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0402
  • 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 K285-0402 available by request