K285-0296 Screening compound: ethyl 3-benzyl-5-methyl-4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-0296 Screening compound: ethyl 3-benzyl-5-methyl-4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-0296 Screening compound: ethyl 3-benzyl-5-methyl-4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-0296
ethyl 3-benzyl-5-methyl-4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}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

K285-0296

Molecular Formula

C26H22F3N3O4S2 (C26 H22 F3 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(C(N(Cc2ccccc2)C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=N2)=O)c2s1)=O

InChI

InChI=1S/C26H22F3N3O4S2/c1-3-36-24(35)21-15(2)20-22(38-21)31-25(32(23(20)34)13-16-8-5-4-6-9-16)37-14-19(33)30-18-11-7-10-17(12-18)26(27,28)29/h4-12H,3,13-14H2,1-2H3,(H,30,33)

InChI Key

AAUDLHXQKQBTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.007

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-5.63

Polar Surface Area

69.576

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K285-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-0296?
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What is the minimum amount of K285-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-0296
  • 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 K285-0296 available by request